ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate

C23H33N3O5 — CID 46480632

IUPACethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)CC(C)C
InChIInChI=1S/C23H33N3O5/c1-6-29-23(28)25-19(11-15(2)3)13-24-22(27)12-18-7-9-20(10-8-18)30-14-21-16(4)26-31-17(21)5/h7-10,15,19H,6,11-14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyWTULYBUJUDNHIG-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.69
Rot. Bonds11

About ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 46480632) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID46480632
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nameethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)CC(C)C
InChIInChI=1S/C23H33N3O5/c1-6-29-23(28)25-19(11-15(2)3)13-24-22(27)12-18-7-9-20(10-8-18)30-14-21-16(4)26-31-17(21)5/h7-10,15,19H,6,11-14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyWTULYBUJUDNHIG-UHFFFAOYSA-N
XLogP3.69
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]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-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980
N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119260778
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 30599068
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182310
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
CID 71493816
2-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232019
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 43045627

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate (CID 46480632) is ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)CC(C)C.
What is the InChIKey of ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is WTULYBUJUDNHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-6-29-23(28)25-19(11-15(2)3)13-24-22(27)12-18-7-9-20(10-8-18)30-14-21-16(4)26-31-17(21)5/h7-10,15,19H,6,11-14H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 431.53 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 46480632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).