(4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide

C21H31N3O3 — CID 124757540

IUPAC(4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide
SMILESC[C@@H](CCC(=O)NCc1nc2cc(C(C)(C)C)ccc2o1)N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-15(24-9-11-26-12-10-24)5-8-19(25)22-14-20-23-17-13-16(21(2,3)4)6-7-18(17)27-20/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,25)/t15-/m0/s1
InChIKeyWOUDBSXQJZVYSY-HNNXBMFYSA-N
MW373.50 g/mol
LogP3.24
Rot. Bonds6

About (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide

(4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide (PubChem CID 124757540) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide.

Molecular Properties

Compound Name(4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide
PubChem CID124757540
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide
SMILESC[C@@H](CCC(=O)NCc1nc2cc(C(C)(C)C)ccc2o1)N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-15(24-9-11-26-12-10-24)5-8-19(25)22-14-20-23-17-13-16(21(2,3)4)6-7-18(17)27-20/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,25)/t15-/m0/s1
InChIKeyWOUDBSXQJZVYSY-HNNXBMFYSA-N
XLogP3.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-morpholin-4-ylpentanamide
CID 124752740
1-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 43554598
(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-morpholin-4-ylpentanamide
CID 124753245
N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 118776600
(4R)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125168819
5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468006
(4R)-4-morpholin-4-yl-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 125164955
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
CID 38585265
(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide
CID 125179870
3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81072191
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
N-[[3-(aminomethyl)phenyl]methyl]-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methoxy]acetamide
CID 15513408

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide?
The IUPAC name of (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide (CID 124757540) is (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide.
What is the SMILES notation for (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide?
The canonical SMILES for (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide is C[C@@H](CCC(=O)NCc1nc2cc(C(C)(C)C)ccc2o1)N1CCOCC1.
What is the InChIKey of (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide?
The InChIKey is WOUDBSXQJZVYSY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(24-9-11-26-12-10-24)5-8-19(25)22-14-20-23-17-13-16(21(2,3)4)6-7-18(17)27-20/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide?
(4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide has a molecular weight of 373.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-ylpentanamide is sourced from PubChem (CID 124757540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).