2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide

C15H21N3O3 — CID 120985693

IUPAC2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)14-18-11-7-9(5-6-12(11)21-14)17-13(19)10(16)8-20-4/h5-7,10H,8,16H2,1-4H3,(H,17,19)
InChIKeyIUOAYVVMJKLWKD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide

2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide (PubChem CID 120985693) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
PubChem CID120985693
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)14-18-11-7-9(5-6-12(11)21-14)17-13(19)10(16)8-20-4/h5-7,10H,8,16H2,1-4H3,(H,17,19)
InChIKeyIUOAYVVMJKLWKD-UHFFFAOYSA-N
XLogP2.04
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride
CID 119949951
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
methyl 2-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117412370
(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
CID 119339802
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]butanamide
CID 119303399
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 71883809
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 97020241
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide (CID 120985693) is 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide is COCC(N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1.
What is the InChIKey of 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide?
The InChIKey is IUOAYVVMJKLWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)14-18-11-7-9(5-6-12(11)21-14)17-13(19)10(16)8-20-4/h5-7,10H,8,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide?
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide is sourced from PubChem (CID 120985693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).