tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate

C25H33N5O4 — CID 163278689

IUPACtert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate
SMILESC=CCCOc1nc(-c2oc([C@@H](C)N(CC)C(=O)OC(C)(C)C)nc2C2CC2)cn2ccnc12
InChIInChI=1S/C25H33N5O4/c1-7-9-14-32-23-21-26-12-13-29(21)15-18(27-23)20-19(17-10-11-17)28-22(33-20)16(3)30(8-2)24(31)34-25(4,5)6/h7,12-13,15-17H,1,8-11,14H2,2-6H3/t16-/m1/s1
InChIKeyKCUXZIBSMWVGLL-MRXNPFEDSA-N
MW467.57 g/mol
LogP5.53
Rot. Bonds9

About tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate

tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate (PubChem CID 163278689) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate
PubChem CID163278689
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Nametert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate
SMILESC=CCCOc1nc(-c2oc([C@@H](C)N(CC)C(=O)OC(C)(C)C)nc2C2CC2)cn2ccnc12
InChIInChI=1S/C25H33N5O4/c1-7-9-14-32-23-21-26-12-13-29(21)15-18(27-23)20-19(17-10-11-17)28-22(33-20)16(3)30(8-2)24(31)34-25(4,5)6/h7,12-13,15-17H,1,8-11,14H2,2-6H3/t16-/m1/s1
InChIKeyKCUXZIBSMWVGLL-MRXNPFEDSA-N
XLogP5.53
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
CID 163278852
N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 167047220
1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone
CID 163278078
tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate
CID 163278934
6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
CID 79956193
tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate
CID 171401150
1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]-3-(1,1,1-trifluorobut-3-en-2-yl)urea
CID 174220560
3-(1-cyclopropyl-4,4,4-trifluorobutyl)-1-ethyl-1-[(1R)-1-[6-methoxy-5-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-3-pyridinyl]ethyl]urea
CID 171401175
3-cyclopropyl-1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 171401122
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-ethyl-N-[(1R)-1-[4-[8-[2-[6,6,6-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]ethoxy]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-pyridinyl]ethyl]carbamate
CID 163278279
tert-butyl N-[[3-(3-cyclopropyl-4-methylpyrazolo[3,4-b]pyridin-1-yl)cyclobutyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 176820104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate (CID 163278689) is tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate is C=CCCOc1nc(-c2oc([C@@H](C)N(CC)C(=O)OC(C)(C)C)nc2C2CC2)cn2ccnc12.
What is the InChIKey of tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate?
The InChIKey is KCUXZIBSMWVGLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-7-9-14-32-23-21-26-12-13-29(21)15-18(27-23)20-19(17-10-11-17)28-22(33-20)16(3)30(8-2)24(31)34-25(4,5)6/h7,12-13,15-17H,1,8-11,14H2,2-6H3/t16-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate?
tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate has a molecular weight of 467.57 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 163278689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).