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

C15H21N3O3 — CID 119815470

IUPAC2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2oc(COC)nc2c1
InChIInChI=1S/C15H21N3O3/c1-4-9(2)14(16)15(19)17-10-5-6-12-11(7-10)18-13(21-12)8-20-3/h5-7,9,14H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyWSGHCUSEHWMQIM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.29
Rot. Bonds6

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

2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide (PubChem CID 119815470) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
PubChem CID119815470
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2oc(COC)nc2c1
InChIInChI=1S/C15H21N3O3/c1-4-9(2)14(16)15(19)17-10-5-6-12-11(7-10)18-13(21-12)8-20-3/h5-7,9,14H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyWSGHCUSEHWMQIM-UHFFFAOYSA-N
XLogP2.29
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
CID 119815454
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
CID 119339802
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide (CID 119815470) is 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc2oc(COC)nc2c1.
What is the InChIKey of 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
The InChIKey is WSGHCUSEHWMQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-9(2)14(16)15(19)17-10-5-6-12-11(7-10)18-13(21-12)8-20-3/h5-7,9,14H,4,8,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide has a molecular weight of 291.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide is sourced from PubChem (CID 119815470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).