N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide

C19H16N6O3 — CID 172684519

IUPACN'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide
SMILESCc1cnc(NNC(=O)c2ccccc2)nc1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H16N6O3/c1-11-10-20-18(25-24-17(26)12-5-3-2-4-6-12)23-16(11)21-13-7-8-15-14(9-13)22-19(27)28-15/h2-10H,1H3,(H,22,27)(H,24,26)(H2,20,21,23,25)
InChIKeyAVVQSHNUDQNSSS-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.72
Rot. Bonds5

About N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide

N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide (PubChem CID 172684519) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide
PubChem CID172684519
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide
SMILESCc1cnc(NNC(=O)c2ccccc2)nc1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H16N6O3/c1-11-10-20-18(25-24-17(26)12-5-3-2-4-6-12)23-16(11)21-13-7-8-15-14(9-13)22-19(27)28-15/h2-10H,1H3,(H,22,27)(H,24,26)(H2,20,21,23,25)
InChIKeyAVVQSHNUDQNSSS-UHFFFAOYSA-N
XLogP2.72
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide with MolForge

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Related Compounds

5-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659730
4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 46853031
5-[[5-methyl-2-(3,4,5-trimethylanilino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 58071391
5-[[2-(4-tert-butylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659849
5-[[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659813
2-methoxy-4-[[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]-N-phenylbenzamide
CID 66659982
5-[[2-(2,3-dimethylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 46850954
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
5-[[2-[(5-bromo-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659462
5-[[5-methyl-2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 67144930
5-[[2-(4-fluoro-3-hydroxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66713661

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide?
The IUPAC name of N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide (CID 172684519) is N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide.
What is the SMILES notation for N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide?
The canonical SMILES for N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide is Cc1cnc(NNC(=O)c2ccccc2)nc1Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide?
The InChIKey is AVVQSHNUDQNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11-10-20-18(25-24-17(26)12-5-3-2-4-6-12)23-16(11)21-13-7-8-15-14(9-13)22-19(27)28-15/h2-10H,1H3,(H,22,27)(H,24,26)(H2,20,21,23,25).
What are the key properties of N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide?
N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide has a molecular weight of 376.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]benzohydrazide is sourced from PubChem (CID 172684519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).