N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C18H23N3O3 — CID 18090028

IUPACN-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C18H23N3O3/c1-5-11(3)19-17(22)13-9-7-8-10-15(13)20-18(23)16-12(4)24-21-14(16)6-2/h7-11H,5-6H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyOMDLVRQAWUJYFH-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 18090028) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID18090028
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C18H23N3O3/c1-5-11(3)19-17(22)13-9-7-8-10-15(13)20-18(23)16-12(4)24-21-14(16)6-2/h7-11H,5-6H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyOMDLVRQAWUJYFH-UHFFFAOYSA-N
XLogP3.33
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158437
3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833014
N-(2-benzylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8023443
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 51088312
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-(2,3-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47450846
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 18090028) is N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NC(C)CC.
What is the InChIKey of N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OMDLVRQAWUJYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-11(3)19-17(22)13-9-7-8-10-15(13)20-18(23)16-12(4)24-21-14(16)6-2/h7-11H,5-6H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18090028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).