N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide

C19H15N5O3 — CID 137255549

IUPACN-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H15N5O3/c1-24(11-12-10-16(23-27-12)15-8-4-5-9-20-15)19(26)17-21-14-7-3-2-6-13(14)18(25)22-17/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyBEXFCIDTGKDTFU-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.25
Rot. Bonds4

About N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide

N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide (PubChem CID 137255549) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
PubChem CID137255549
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H15N5O3/c1-24(11-12-10-16(23-27-12)15-8-4-5-9-20-15)19(26)17-21-14-7-3-2-6-13(14)18(25)22-17/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyBEXFCIDTGKDTFU-UHFFFAOYSA-N
XLogP2.25
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135921912
N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 72863128
7-fluoro-N,2-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70783263
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146038741
N-methyl-3-morpholin-4-yl-5-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 135108657
6-methyl-3-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56714804
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
2-(5-amino-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 90649169

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide (CID 137255549) is N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide is CN(Cc1cc(-c2ccccn2)no1)C(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide?
The InChIKey is BEXFCIDTGKDTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-24(11-12-10-16(23-27-12)15-8-4-5-9-20-15)19(26)17-21-14-7-3-2-6-13(14)18(25)22-17/h2-10H,11H2,1H3,(H,21,22,25).
What are the key properties of N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide?
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 137255549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).