tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate

C23H31N5O3 — CID 121255921

IUPACtert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate
SMILESCC(C)CCc1nc(NCCNC(=O)OC(C)(C)C)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C23H31N5O3/c1-15(2)6-9-20-27-18-8-7-16(19-13-24-14-30-19)12-17(18)21(28-20)25-10-11-26-22(29)31-23(3,4)5/h7-8,12-15H,6,9-11H2,1-5H3,(H,26,29)(H,25,27,28)
InChIKeyIZWCUZYZWGDSQZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.81
Rot. Bonds8

About tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate (PubChem CID 121255921) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate
PubChem CID121255921
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Nametert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate
SMILESCC(C)CCc1nc(NCCNC(=O)OC(C)(C)C)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C23H31N5O3/c1-15(2)6-9-20-27-18-8-7-16(19-13-24-14-30-19)12-17(18)21(28-20)25-10-11-26-22(29)31-23(3,4)5/h7-8,12-15H,6,9-11H2,1-5H3,(H,26,29)(H,25,27,28)
InChIKeyIZWCUZYZWGDSQZ-UHFFFAOYSA-N
XLogP4.81
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255932
tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate
CID 103818671
tert-butyl N-[2-[(2-chloro-6-methylquinazolin-4-yl)amino]ethyl]carbamate
CID 86691423
tert-butyl N-[3-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]propyl]carbamate;tert-butyl N-[3-[4-methyl-2-(1,3-oxazol-5-yl)phenyl]propyl]carbamate;ethane
CID 144746613
tert-butyl N-[2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]benzo[g]quinazolin-4-yl]amino]ethyl]carbamate
CID 118736573
tert-butyl N-[2-[(5-bromo-1,3-benzoxazol-2-yl)amino]ethyl]carbamate
CID 162755847
tert-butyl (2R,3S,4S)-3-[2-(3,5-difluoro-4-hydroxyphenyl)ethylcarbamoyloxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 177120732
tert-butyl N-[[6-carbamoyl-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methyl]carbamate
CID 91174540
tert-butyl N-[2-[[3-fluoro-6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]ethyl]carbamate
CID 166859864
1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121256032
tert-butyl N-[[4-[(1,3-oxazol-5-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244234
4-methoxy-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]quinazolin-6-yl]benzoic acid
CID 123460036

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate (CID 121255921) is tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate is CC(C)CCc1nc(NCCNC(=O)OC(C)(C)C)c2cc(-c3cnco3)ccc2n1.
What is the InChIKey of tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate?
The InChIKey is IZWCUZYZWGDSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-15(2)6-9-20-27-18-8-7-16(19-13-24-14-30-19)12-17(18)21(28-20)25-10-11-26-22(29)31-23(3,4)5/h7-8,12-15H,6,9-11H2,1-5H3,(H,26,29)(H,25,27,28).
What are the key properties of tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate has a molecular weight of 425.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 121255921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).