4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide

C19H22FN5O4 — CID 23770479

IUPAC4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide
SMILESNC(=O)c1noc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)c1N
InChIInChI=1S/C19H22FN5O4/c20-12-7-5-11(6-8-12)9-25(10-14(26)23-13-3-1-2-4-13)19(28)17-15(21)16(18(22)27)24-29-17/h5-8,13H,1-4,9-10,21H2,(H2,22,27)(H,23,26)
InChIKeyNFMTZBVOGRCXGV-UHFFFAOYSA-N
MW403.41 g/mol
LogP1.20
Rot. Bonds7

About 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide

4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide (PubChem CID 23770479) has the molecular formula C19H22FN5O4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide
PubChem CID23770479
Molecular FormulaC19H22FN5O4
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide
SMILESNC(=O)c1noc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)c1N
InChIInChI=1S/C19H22FN5O4/c20-12-7-5-11(6-8-12)9-25(10-14(26)23-13-3-1-2-4-13)19(28)17-15(21)16(18(22)27)24-29-17/h5-8,13H,1-4,9-10,21H2,(H2,22,27)(H,23,26)
InChIKeyNFMTZBVOGRCXGV-UHFFFAOYSA-N
XLogP1.20
TPSA144.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide 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

N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 1467660
4-amino-5-N-[2-(benzylamino)-2-oxoethyl]-3-N-cyclohexyl-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 1156809
4-amino-3-N-cyclohexyl-5-N-[(4-fluorophenyl)methyl]-5-N-[2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3182092
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3179721
4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3182135
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205407
N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
4-amino-5-N-[(2R)-1-(cyclopentylamino)-1-oxopentan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 40620448
4-amino-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180040
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide (CID 23770479) is 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide is NC(=O)c1noc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)c1N.
What is the InChIKey of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide?
The InChIKey is NFMTZBVOGRCXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4/c20-12-7-5-11(6-8-12)9-25(10-14(26)23-13-3-1-2-4-13)19(28)17-15(21)16(18(22)27)24-29-17/h5-8,13H,1-4,9-10,21H2,(H2,22,27)(H,23,26).
What are the key properties of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide?
4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide has a molecular weight of 403.41 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide is sourced from PubChem (CID 23770479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).