2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine

C18H15N5O — CID 3235474

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C18H15N5O/c1-11-16(12(2)24-23-11)18-21-15-6-4-3-5-14(15)17(22-18)20-13-7-9-19-10-8-13/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyLFMPKDUDFHIAFQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.04
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 3235474) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine
PubChem CID3235474
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C18H15N5O/c1-11-16(12(2)24-23-11)18-21-15-6-4-3-5-14(15)17(22-18)20-13-7-9-19-10-8-13/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyLFMPKDUDFHIAFQ-UHFFFAOYSA-N
XLogP4.04
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylisoxazol-5-yl)-1H-imidazo[4,5-c]quinoline
CID 135417207
3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
CID 135417206
3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135452014
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
2-(3,5-dimethylisoxazol-4-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 25110840
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204902
3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135456681
5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135461696
5-(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135463647
4-((2-(Tert-Butyl)phenyl)amino)-7-(3,5-Dimethylisoxazol-4-Yl)-1,8-Naphthyridine-3-Carboxylic Acid
CID 71695581
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3233045
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233314

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine (CID 3235474) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine is Cc1noc(C)c1-c1nc(Nc2ccncc2)c2ccccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is LFMPKDUDFHIAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-16(12(2)24-23-11)18-21-15-6-4-3-5-14(15)17(22-18)20-13-7-9-19-10-8-13/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine has a molecular weight of 317.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3235474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).