N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C15H17N3O3 — CID 110675294

IUPACN-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C15H17N3O3/c1-8(2)13-12(9(3)18-21-13)15(20)17-11-7-5-4-6-10(11)14(16)19/h4-8H,1-3H3,(H2,16,19)(H,17,20)
InChIKeyKBGQPMBKCBPFLT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.46
Rot. Bonds4

About N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110675294) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110675294
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C15H17N3O3/c1-8(2)13-12(9(3)18-21-13)15(20)17-11-7-5-4-6-10(11)14(16)19/h4-8H,1-3H3,(H2,16,19)(H,17,20)
InChIKeyKBGQPMBKCBPFLT-UHFFFAOYSA-N
XLogP2.46
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110606688
[2-(2-acetylanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507426
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 18164312
N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47113050
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
2-(2-bromopropanoylamino)benzamide
CID 14588064
5-amino-N-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 10824661
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110675294) is N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is KBGQPMBKCBPFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8(2)13-12(9(3)18-21-13)15(20)17-11-7-5-4-6-10(11)14(16)19/h4-8H,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110675294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).