1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea

C16H15N5O3 — CID 1481517

IUPAC1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
SMILESO=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1ccccc1
InChIInChI=1S/C16H15N5O3/c22-15(19-20-16(23)18-12-6-2-1-3-7-12)14-9-13(21-24-14)11-5-4-8-17-10-11/h1-8,10,14H,9H2,(H,19,22)(H2,18,20,23)/t14-/m1/s1
InChIKeyLCLQIVLPHBMINC-CQSZACIVSA-N
MW325.33 g/mol
LogP1.43
Rot. Bonds3

About 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea

1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea (PubChem CID 1481517) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
PubChem CID1481517
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
SMILESO=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1ccccc1
InChIInChI=1S/C16H15N5O3/c22-15(19-20-16(23)18-12-6-2-1-3-7-12)14-9-13(21-24-14)11-5-4-8-17-10-11/h1-8,10,14H,9H2,(H,19,22)(H2,18,20,23)/t14-/m1/s1
InChIKeyLCLQIVLPHBMINC-CQSZACIVSA-N
XLogP1.43
TPSA104.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 1485121
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510682
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906
(5S)-N-[4-[(2-chlorophenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194046
1-(4-bromo-2-fluorophenyl)-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]thiourea
CID 40852945
N-[4-(1-cyano-3-hydroxy-1-phenylpropyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510768
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7085447
N-[4-(2-amino-1-morpholin-4-yl-2-oxo-1-phenylethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide;hydrate
CID 18510744

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea?
The IUPAC name of 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea (CID 1481517) is 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea.
What is the SMILES notation for 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea?
The canonical SMILES for 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea is O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea?
The InChIKey is LCLQIVLPHBMINC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-15(19-20-16(23)18-12-6-2-1-3-7-12)14-9-13(21-24-14)11-5-4-8-17-10-11/h1-8,10,14H,9H2,(H,19,22)(H2,18,20,23)/t14-/m1/s1.
What are the key properties of 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea?
1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea has a molecular weight of 325.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea is sourced from PubChem (CID 1481517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).