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

C20H25N5O2 — CID 163278852

IUPAC(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESC=CCCOc1nc(-c2oc([C@@H](C)NCC)nc2C2CC2)cn2ccnc12
InChIInChI=1S/C20H25N5O2/c1-4-6-11-26-20-18-22-9-10-25(18)12-15(23-20)17-16(14-7-8-14)24-19(27-17)13(3)21-5-2/h4,9-10,12-14,21H,1,5-8,11H2,2-3H3/t13-/m1/s1
InChIKeyRPRCWQAPXYGDIZ-CYBMUJFWSA-N
MW367.45 g/mol
LogP3.89
Rot. Bonds9

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

(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 163278852) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID163278852
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESC=CCCOc1nc(-c2oc([C@@H](C)NCC)nc2C2CC2)cn2ccnc12
InChIInChI=1S/C20H25N5O2/c1-4-6-11-26-20-18-22-9-10-25(18)12-15(23-20)17-16(14-7-8-14)24-19(27-17)13(3)21-5-2/h4,9-10,12-14,21H,1,5-8,11H2,2-3H3/t13-/m1/s1
InChIKeyRPRCWQAPXYGDIZ-CYBMUJFWSA-N
XLogP3.89
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
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
6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
CID 79956193
(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278965
1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine
CID 163278238
N-ethyl-8-(4-methylpentoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80862180
8-(2-cyclopropylethoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 106207574
N-ethyl-8-(2-methylpropoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80860201
(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278222
N-ethyl-8-(3-methylbut-3-enoxy)imidazo[1,2-a]pyrazin-6-amine
CID 114471238
8-N-(1-cyclopropylethyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80782305

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine (CID 163278852) is (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine is C=CCCOc1nc(-c2oc([C@@H](C)NCC)nc2C2CC2)cn2ccnc12.
What is the InChIKey of (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is RPRCWQAPXYGDIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-6-11-26-20-18-22-9-10-25(18)12-15(23-20)17-16(14-7-8-14)24-19(27-17)13(3)21-5-2/h4,9-10,12-14,21H,1,5-8,11H2,2-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine?
(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 367.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 163278852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).