2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide

C18H23N3O4 — CID 3692940

IUPAC2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCC(=O)c2ccc(OC)cc2)co1
InChIInChI=1S/C18H23N3O4/c1-3-4-5-14(19)18-21-15(11-25-18)17(23)20-10-16(22)12-6-8-13(24-2)9-7-12/h6-9,11,14H,3-5,10,19H2,1-2H3,(H,20,23)
InChIKeyPZFMDDLWSPQDLR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.49
Rot. Bonds9

About 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide

2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3692940) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
PubChem CID3692940
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCC(=O)c2ccc(OC)cc2)co1
InChIInChI=1S/C18H23N3O4/c1-3-4-5-14(19)18-21-15(11-25-18)17(23)20-10-16(22)12-6-8-13(24-2)9-7-12/h6-9,11,14H,3-5,10,19H2,1-2H3,(H,20,23)
InChIKeyPZFMDDLWSPQDLR-UHFFFAOYSA-N
XLogP2.49
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate
CID 3692953
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 5160527
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 19757563
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
CID 3844290

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide (CID 3692940) is 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NCC(=O)c2ccc(OC)cc2)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PZFMDDLWSPQDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-4-5-14(19)18-21-15(11-25-18)17(23)20-10-16(22)12-6-8-13(24-2)9-7-12/h6-9,11,14H,3-5,10,19H2,1-2H3,(H,20,23).
What are the key properties of 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3692940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).