5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

C24H31N3O5 — CID 93143878

IUPAC5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCOCC3)C[C@@H]3CCCO3)no2)c1
InChIInChI=1S/C24H31N3O5/c1-17-5-6-18(2)20(14-17)22-15-21(25-32-22)24(29)27(16-19-4-3-11-31-19)8-7-23(28)26-9-12-30-13-10-26/h5-6,14-15,19H,3-4,7-13,16H2,1-2H3/t19-/m0/s1
InChIKeyKYKKFHWZCWICQS-IBGZPJMESA-N
MW441.53 g/mol
LogP2.83
Rot. Bonds7

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

5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 93143878) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID93143878
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCOCC3)C[C@@H]3CCCO3)no2)c1
InChIInChI=1S/C24H31N3O5/c1-17-5-6-18(2)20(14-17)22-15-21(25-32-22)24(29)27(16-19-4-3-11-31-19)8-7-23(28)26-9-12-30-13-10-26/h5-6,14-15,19H,3-4,7-13,16H2,1-2H3/t19-/m0/s1
InChIKeyKYKKFHWZCWICQS-IBGZPJMESA-N
XLogP2.83
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93143401
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 93143825
5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 51070741
5-(2,4-dichlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93143428
ethyl 1-[3-[[5-(2,4-dichlorophenyl)-1,2-oxazole-3-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoyl]piperidine-4-carboxylate
CID 98291897
5-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140770
ethyl (3S)-1-[3-[[5-(2,4-dichlorophenyl)-1,2-oxazole-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoyl]piperidine-3-carboxylate
CID 98291895
N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143908
5-methyl-N-[3-(4-methylanilino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93019723
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

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 93143878) is 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCOCC3)C[C@@H]3CCCO3)no2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KYKKFHWZCWICQS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N3O5/c1-17-5-6-18(2)20(14-17)22-15-21(25-32-22)24(29)27(16-19-4-3-11-31-19)8-7-23(28)26-9-12-30-13-10-26/h5-6,14-15,19H,3-4,7-13,16H2,1-2H3/t19-/m0/s1.
What are the key properties of 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93143878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).