2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide

C14H11ClN6O2 — CID 25122000

IUPAC2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(Nc2ccon2)ncc1Cl
InChIInChI=1S/C14H11ClN6O2/c15-9-7-17-14(19-11-5-6-23-21-11)20-13(9)18-10-4-2-1-3-8(10)12(16)22/h1-7H,(H2,16,22)(H2,17,18,19,20,21)
InChIKeyOYKSHUJYSGMQHC-UHFFFAOYSA-N
MW330.74 g/mol
LogP2.70
Rot. Bonds5

About 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide

2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide (PubChem CID 25122000) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide
PubChem CID25122000
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Name2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(Nc2ccon2)ncc1Cl
InChIInChI=1S/C14H11ClN6O2/c15-9-7-17-14(19-11-5-6-23-21-11)20-13(9)18-10-4-2-1-3-8(10)12(16)22/h1-7H,(H2,16,22)(H2,17,18,19,20,21)
InChIKeyOYKSHUJYSGMQHC-UHFFFAOYSA-N
XLogP2.70
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-isoxazol-3-yl-4-methylbenzamide
CID 11660832
3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-isoxazol-3-yl-4-methylbenzamide
CID 11710888
3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-isoxazol-3-yl-4-methylbenzamide
CID 11235063
N-[3-[[[5-chloro-2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475620
5-chloro-2-[(1S)-1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(1,2-oxazol-3-yl)quinazolin-4-one
CID 137634463
US9579320, Example 198
CID 57471989
US9579320, Example 455
CID 59199652
2-[(2-Anilino-5-chloropyrimidin-4-yl)amino]benzamide
CID 178308284
2,5-dichloro-N-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine
CID 87330357
N-(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetaldehyde
CID 160520941
N-[4-amino-2-[1-amino-3-[[(4Z)-8-fluorocycloocta-1,4,7-trien-1-yl]methylimino]-3-(1,2-oxazol-3-yl)prop-1-enyl]pyrimidin-5-yl]benzamide
CID 173690449
N-(5-methyl-1,2-oxazol-3-yl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164403

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide (CID 25122000) is 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(Nc2ccon2)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide?
The InChIKey is OYKSHUJYSGMQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c15-9-7-17-14(19-11-5-6-23-21-11)20-13(9)18-10-4-2-1-3-8(10)12(16)22/h1-7H,(H2,16,22)(H2,17,18,19,20,21).
What are the key properties of 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide?
2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide has a molecular weight of 330.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 25122000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).