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

C19H25N3O3 — CID 4221423

IUPAC2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN(CCC)C(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H25N3O3/c1-4-10-20-18(23)16-13-25-17(21-16)12-22(11-5-2)19(24)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyUSXDTPUXCGNTFA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.18
Rot. Bonds8

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

2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 4221423) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID4221423
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN(CCC)C(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H25N3O3/c1-4-10-20-18(23)16-13-25-17(21-16)12-22(11-5-2)19(24)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyUSXDTPUXCGNTFA-UHFFFAOYSA-N
XLogP3.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3902815
N-(2-methoxyethyl)-2-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4037478
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-butylbenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 4044856
2-[[(4-fluorobenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5028125
2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3658144
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
2-[[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3396916
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
2-[[(3-methoxyphenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 5016026
2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 4242407

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide (CID 4221423) is 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is CCCNC(=O)c1coc(CN(CCC)C(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is USXDTPUXCGNTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-10-20-18(23)16-13-25-17(21-16)12-22(11-5-2)19(24)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4221423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).