5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one

C17H13N5O2 — CID 152798051

IUPAC5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Nc3ccnc(Nc4ccccc4)n3)ccc2o1
InChIInChI=1S/C17H13N5O2/c23-17-21-13-10-12(6-7-14(13)24-17)19-15-8-9-18-16(22-15)20-11-4-2-1-3-5-11/h1-10H,(H,21,23)(H2,18,19,20,22)
InChIKeyBFZBCKQMWWXCAT-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.40
Rot. Bonds4

About 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one

5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 152798051) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID152798051
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Nc3ccnc(Nc4ccccc4)n3)ccc2o1
InChIInChI=1S/C17H13N5O2/c23-17-21-13-10-12(6-7-14(13)24-17)19-15-8-9-18-16(22-15)20-11-4-2-1-3-5-11/h1-10H,(H,21,23)(H2,18,19,20,22)
InChIKeyBFZBCKQMWWXCAT-UHFFFAOYSA-N
XLogP3.40
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one 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

5-[[2-(3,5-difluoroanilino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one;2,2,2-trifluoroacetic acid
CID 56655414
5-[(2-aminopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 67144223
5-[[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659813
4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 46853031
5-[[2-(4-tert-butylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659849
5-[[5-methyl-2-(3,4,5-trimethylanilino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 58071391
5-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659730
5-[[2-(3-fluoro-4-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660089
5-[[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660105
2-methoxy-4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]-N-phenylbenzamide
CID 66659982
5-[[5-methyl-2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 67144930
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991

Frequently Asked Questions

What is the IUPAC name of 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one (CID 152798051) is 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(Nc3ccnc(Nc4ccccc4)n3)ccc2o1.
What is the InChIKey of 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is BFZBCKQMWWXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-17-21-13-10-12(6-7-14(13)24-17)19-15-8-9-18-16(22-15)20-11-4-2-1-3-5-11/h1-10H,(H,21,23)(H2,18,19,20,22).
What are the key properties of 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 319.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 152798051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).