N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

C24H31N3O4 — CID 93143908

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)C[C@@H]3CCCO3)no2)c(C)c1
InChIInChI=1S/C24H31N3O4/c1-15-11-16(2)23(17(3)12-15)21-13-20(26-31-21)24(29)27(14-19-5-4-10-30-19)9-8-22(28)25-18-6-7-18/h11-13,18-19H,4-10,14H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyDEPARCFWBUCNIL-IBGZPJMESA-N
MW425.53 g/mol
LogP3.56
Rot. Bonds8

About N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 93143908) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID93143908
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)C[C@@H]3CCCO3)no2)c(C)c1
InChIInChI=1S/C24H31N3O4/c1-15-11-16(2)23(17(3)12-15)21-13-20(26-31-21)24(29)27(14-19-5-4-10-30-19)9-8-22(28)25-18-6-7-18/h11-13,18-19H,4-10,14H2,1-3H3,(H,25,28)/t19-/m0/s1
InChIKeyDEPARCFWBUCNIL-IBGZPJMESA-N
XLogP3.56
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143894
N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780281
5-methyl-N-[3-(4-methylanilino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93019723
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780190
5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93140760
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93143813
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209719
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125150579
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140721
5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93143878
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140459
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51069976

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (CID 93143908) is N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NC3CC3)C[C@@H]3CCCO3)no2)c(C)c1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DEPARCFWBUCNIL-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N3O4/c1-15-11-16(2)23(17(3)12-15)21-13-20(26-31-21)24(29)27(14-19-5-4-10-30-19)9-8-22(28)25-18-6-7-18/h11-13,18-19H,4-10,14H2,1-3H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93143908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).