2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide

C22H31N3O3 — CID 3902815

IUPAC2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCCc1ccc(C(=O)N(CCC)Cc2nc(C(=O)NCCC)co2)cc1
InChIInChI=1S/C22H31N3O3/c1-4-7-8-17-9-11-18(12-10-17)22(27)25(14-6-3)15-20-24-19(16-28-20)21(26)23-13-5-2/h9-12,16H,4-8,13-15H2,1-3H3,(H,23,26)
InChIKeyRDNQHSBVDTVXHN-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.21
Rot. Bonds11

About 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide

2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 3902815) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID3902815
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCCc1ccc(C(=O)N(CCC)Cc2nc(C(=O)NCCC)co2)cc1
InChIInChI=1S/C22H31N3O3/c1-4-7-8-17-9-11-18(12-10-17)22(27)25(14-6-3)15-20-24-19(16-28-20)21(26)23-13-5-2/h9-12,16H,4-8,13-15H2,1-3H3,(H,23,26)
InChIKeyRDNQHSBVDTVXHN-UHFFFAOYSA-N
XLogP4.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423
2-[[(4-butylbenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 4044856
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
2-[[(2-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3891590
2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 42766155
2-[[(4-pentylbenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 3256571
N-[(2S)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 7301651
N-(2-methoxyethyl)-2-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4037478
2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 4242407
2-[[(4-fluorobenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5028125
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (CID 3902815) is 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is CCCCc1ccc(C(=O)N(CCC)Cc2nc(C(=O)NCCC)co2)cc1.
What is the InChIKey of 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is RDNQHSBVDTVXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-7-8-17-9-11-18(12-10-17)22(27)25(14-6-3)15-20-24-19(16-28-20)21(26)23-13-5-2/h9-12,16H,4-8,13-15H2,1-3H3,(H,23,26).
What are the key properties of 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3902815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).