1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea

C12H11ClN4O3 — CID 2743503

IUPAC1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea
SMILESCc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN4O3/c1-7-6-10(17-20-7)11(18)15-16-12(19)14-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,15,18)(H2,14,16,19)
InChIKeyYGCPTZSUDLMZGI-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea

1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea (PubChem CID 2743503) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea
PubChem CID2743503
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea
SMILESCc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN4O3/c1-7-6-10(17-20-7)11(18)15-16-12(19)14-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,15,18)(H2,14,16,19)
InChIKeyYGCPTZSUDLMZGI-UHFFFAOYSA-N
XLogP2.10
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173847
N'-(2,5-dichlorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2810946
N'-(4-chlorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812574
N-(3-chlorophenyl)-5-isopropylisoxazole-3-carboxamide
CID 3240071
N1-phenyl-2-[(5-methylisoxazol-3-yl)carbonyl]hydrazine-1-carboxamide
CID 2743502
N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5308713
N'-(2,6-dichlorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812885
N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7668119
N~3~-(3-Chloro-4-fluorophenyl)-5-propyl-3-isoxazolecarboxamide
CID 22427594
3-Isoxazolecarboxamide, N-(2,6-dichlorophenyl)-5-methyl-
CID 3073018
2-[(5-methyl-3-isoxazolyl)carbonyl]-N-[3-(trifluoromethyl)phenyl]hydrazinecarboxamide
CID 978068
N-(3-chloro-4-fluorophenyl)-5-ethyl-3-isoxazolecarboxamide
CID 17253251

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea (CID 2743503) is 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea is Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)no1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
The InChIKey is YGCPTZSUDLMZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-7-6-10(17-20-7)11(18)15-16-12(19)14-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,15,18)(H2,14,16,19).
What are the key properties of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea has a molecular weight of 294.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea is sourced from PubChem (CID 2743503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).