3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide

C20H29N3O3 — CID 91380335

IUPAC3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide
SMILESCCC(NC(=O)CC(N)C1(C)CCCC1)C(O)c1nc2ccccc2o1
InChIInChI=1S/C20H29N3O3/c1-3-13(18(25)19-23-14-8-4-5-9-15(14)26-19)22-17(24)12-16(21)20(2)10-6-7-11-20/h4-5,8-9,13,16,18,25H,3,6-7,10-12,21H2,1-2H3,(H,22,24)
InChIKeyUQVYQUWYCGDJLW-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.05
Rot. Bonds7

About 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide

3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide (PubChem CID 91380335) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide
PubChem CID91380335
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide
SMILESCCC(NC(=O)CC(N)C1(C)CCCC1)C(O)c1nc2ccccc2o1
InChIInChI=1S/C20H29N3O3/c1-3-13(18(25)19-23-14-8-4-5-9-15(14)26-19)22-17(24)12-16(21)20(2)10-6-7-11-20/h4-5,8-9,13,16,18,25H,3,6-7,10-12,21H2,1-2H3,(H,22,24)
InChIKeyUQVYQUWYCGDJLW-UHFFFAOYSA-N
XLogP3.05
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide?
The IUPAC name of 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide (CID 91380335) is 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide?
The canonical SMILES for 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide is CCC(NC(=O)CC(N)C1(C)CCCC1)C(O)c1nc2ccccc2o1.
What is the InChIKey of 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide?
The InChIKey is UQVYQUWYCGDJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-13(18(25)19-23-14-8-4-5-9-15(14)26-19)22-17(24)12-16(21)20(2)10-6-7-11-20/h4-5,8-9,13,16,18,25H,3,6-7,10-12,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide?
3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]-3-(1-methylcyclopentyl)propanamide is sourced from PubChem (CID 91380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).