2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide

C24H27N5O3 — CID 86879923

IUPAC2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(NC(=O)NCc1ncc(-c2ccccc2)o1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H27N5O3/c1-17(23(30)28-19-10-7-11-20(14-19)29-12-5-6-13-29)27-24(31)26-16-22-25-15-21(32-22)18-8-3-2-4-9-18/h2-4,7-11,14-15,17H,5-6,12-13,16H2,1H3,(H,28,30)(H2,26,27,31)
InChIKeyRTMAHLYKYDKINT-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.77
Rot. Bonds7

About 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide

2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 86879923) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
PubChem CID86879923
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(NC(=O)NCc1ncc(-c2ccccc2)o1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H27N5O3/c1-17(23(30)28-19-10-7-11-20(14-19)29-12-5-6-13-29)27-24(31)26-16-22-25-15-21(32-22)18-8-3-2-4-9-18/h2-4,7-11,14-15,17H,5-6,12-13,16H2,1H3,(H,28,30)(H2,26,27,31)
InChIKeyRTMAHLYKYDKINT-UHFFFAOYSA-N
XLogP3.77
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007829
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 124591808
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
1-[3-(benzylsulfinylmethyl)phenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86962676
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide (CID 86879923) is 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide is CC(NC(=O)NCc1ncc(-c2ccccc2)o1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is RTMAHLYKYDKINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17(23(30)28-19-10-7-11-20(14-19)29-12-5-6-13-29)27-24(31)26-16-22-25-15-21(32-22)18-8-3-2-4-9-18/h2-4,7-11,14-15,17H,5-6,12-13,16H2,1H3,(H,28,30)(H2,26,27,31).
What are the key properties of 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]-N-(3-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 86879923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).