N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C18H21N3O3 — CID 42821216

IUPACN-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)NCC2CC2)no1
InChIInChI=1S/C18H21N3O3/c1-12-9-16(21-24-12)18(23)20-15(10-13-5-3-2-4-6-13)17(22)19-11-14-7-8-14/h2-6,9,14-15H,7-8,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyRVNUKBBKNRIYAX-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.85
Rot. Bonds7

About N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 42821216) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID42821216
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)NCC2CC2)no1
InChIInChI=1S/C18H21N3O3/c1-12-9-16(21-24-12)18(23)20-15(10-13-5-3-2-4-6-13)17(22)19-11-14-7-8-14/h2-6,9,14-15H,7-8,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyRVNUKBBKNRIYAX-UHFFFAOYSA-N
XLogP1.85
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
N-[3-methoxy-1-[[3-methoxy-1-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 74833669
N-[(2S)-3-methoxy-1-[[2-[[(2S)-1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 143460307
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93140608
N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 167480989
N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 59217705
N-[4-methoxy-1-[[1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 89362309
N-[(2S)-1-[[(2S)-3-cyclopentyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155540985
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140653

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 42821216) is N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)NCC2CC2)no1.
What is the InChIKey of N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is RVNUKBBKNRIYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-9-16(21-24-12)18(23)20-15(10-13-5-3-2-4-6-13)17(22)19-11-14-7-8-14/h2-6,9,14-15H,7-8,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42821216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).