N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H17N3O3 — CID 38324737

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H17N3O3/c1-9-14(10(2)22-19-9)16(21)18-13-5-3-4-12(8-13)17-15(20)11-6-7-11/h3-5,8,11H,6-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPCYAYYARNRIIPN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.89
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 38324737) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID38324737
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H17N3O3/c1-9-14(10(2)22-19-9)16(21)18-13-5-3-4-12(8-13)17-15(20)11-6-7-11/h3-5,8,11H,6-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPCYAYYARNRIIPN-UHFFFAOYSA-N
XLogP2.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylfuran-3-carboxamide
CID 38325558
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38748212
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096
N-[3-(cyclopropanecarbonylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46546109
3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46474322
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24581040
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
3,5-dimethyl-N-(3-oxo-1H-2-benzofuran-5-yl)-1,2-oxazole-4-carboxamide
CID 2810949
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 38324737) is N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is PCYAYYARNRIIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-14(10(2)22-19-9)16(21)18-13-5-3-4-12(8-13)17-15(20)11-6-7-11/h3-5,8,11H,6-7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 38324737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).