ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate

C14H17N3O4 — CID 47051874

IUPACethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
SMILESCCOC(=O)N(C)CC(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C14H17N3O4/c1-4-20-14(19)17(3)8-13(18)16-10-5-6-12-11(7-10)15-9(2)21-12/h5-7H,4,8H2,1-3H3,(H,16,18)
InChIKeyDVDPUOLEXNAPTD-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.16
Rot. Bonds4

About ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate

ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate (PubChem CID 47051874) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
PubChem CID47051874
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
SMILESCCOC(=O)N(C)CC(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C14H17N3O4/c1-4-20-14(19)17(3)8-13(18)16-10-5-6-12-11(7-10)15-9(2)21-12/h5-7H,4,8H2,1-3H3,(H,16,18)
InChIKeyDVDPUOLEXNAPTD-UHFFFAOYSA-N
XLogP2.16
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate 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

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 60572554
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 25494068
ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112525597
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051
2-(2-methoxyphenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 25466884

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate (CID 47051874) is ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate is CCOC(=O)N(C)CC(=O)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is DVDPUOLEXNAPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-20-14(19)17(3)8-13(18)16-10-5-6-12-11(7-10)15-9(2)21-12/h5-7H,4,8H2,1-3H3,(H,16,18).
What are the key properties of ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate?
ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 291.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47051874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).