3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide

C19H21N3O3 — CID 119815454

IUPAC3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
SMILESCOCc1nc2cc(NC(=O)C(C)C(N)c3ccccc3)ccc2o1
InChIInChI=1S/C19H21N3O3/c1-12(18(20)13-6-4-3-5-7-13)19(23)21-14-8-9-16-15(10-14)22-17(25-16)11-24-2/h3-10,12,18H,11,20H2,1-2H3,(H,21,23)
InChIKeyMBTVRSVYDDZDNC-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.25
Rot. Bonds6

About 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide (PubChem CID 119815454) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
PubChem CID119815454
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
SMILESCOCc1nc2cc(NC(=O)C(C)C(N)c3ccccc3)ccc2o1
InChIInChI=1S/C19H21N3O3/c1-12(18(20)13-6-4-3-5-7-13)19(23)21-14-8-9-16-15(10-14)22-17(25-16)11-24-2/h3-10,12,18H,11,20H2,1-2H3,(H,21,23)
InChIKeyMBTVRSVYDDZDNC-UHFFFAOYSA-N
XLogP3.25
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
CID 119339802
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 122148357
4-cyano-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71860667

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide (CID 119815454) is 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide is COCc1nc2cc(NC(=O)C(C)C(N)c3ccccc3)ccc2o1.
What is the InChIKey of 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide?
The InChIKey is MBTVRSVYDDZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(18(20)13-6-4-3-5-7-13)19(23)21-14-8-9-16-15(10-14)22-17(25-16)11-24-2/h3-10,12,18H,11,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119815454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).