2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide

C15H19N3O3 — CID 3840730

IUPAC2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(OC)cc2)co1
InChIInChI=1S/C15H19N3O3/c1-3-12(16)15-18-13(9-21-15)14(19)17-8-10-4-6-11(20-2)7-5-10/h4-7,9,12H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyCSXXBTXAUOIKOW-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.02
Rot. Bonds6

About 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide

2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3840730) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3840730
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(OC)cc2)co1
InChIInChI=1S/C15H19N3O3/c1-3-12(16)15-18-13(9-21-15)14(19)17-8-10-4-6-11(20-2)7-5-10/h4-7,9,12H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyCSXXBTXAUOIKOW-UHFFFAOYSA-N
XLogP2.02
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3813364
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008
2-(1-amino-2-methylbutyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3809377
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3801520

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3840730) is 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)NCc2ccc(OC)cc2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CSXXBTXAUOIKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-12(16)15-18-13(9-21-15)14(19)17-8-10-4-6-11(20-2)7-5-10/h4-7,9,12H,3,8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3840730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).