3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide

C17H21N3O2 — CID 119818797

IUPAC3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1coc(-c2cc(NC(=O)C3CCC(N)C3)ccc2C)n1
InChIInChI=1S/C17H21N3O2/c1-10-3-6-14(8-15(10)17-19-11(2)9-22-17)20-16(21)12-4-5-13(18)7-12/h3,6,8-9,12-13H,4-5,7,18H2,1-2H3,(H,20,21)
InChIKeyGBXAPDFABAHSSW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119818797) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID119818797
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1coc(-c2cc(NC(=O)C3CCC(N)C3)ccc2C)n1
InChIInChI=1S/C17H21N3O2/c1-10-3-6-14(8-15(10)17-19-11(2)9-22-17)20-16(21)12-4-5-13(18)7-12/h3,6,8-9,12-13H,4-5,7,18H2,1-2H3,(H,20,21)
InChIKeyGBXAPDFABAHSSW-UHFFFAOYSA-N
XLogP3.02
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide (CID 119818797) is 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide is Cc1coc(-c2cc(NC(=O)C3CCC(N)C3)ccc2C)n1.
What is the InChIKey of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is GBXAPDFABAHSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-3-6-14(8-15(10)17-19-11(2)9-22-17)20-16(21)12-4-5-13(18)7-12/h3,6,8-9,12-13H,4-5,7,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119818797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).