(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate

C32H34N2O4 — CID 22087736

IUPAC(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate
SMILESCCCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1cccc(C2CC2)c1
InChIInChI=1S/C32H34N2O4/c1-3-19-34(32(35)38-29-11-7-10-27(21-29)25-14-15-25)22-24-12-16-28(17-13-24)36-20-18-30-23(2)37-31(33-30)26-8-5-4-6-9-26/h4-13,16-17,21,25H,3,14-15,18-20,22H2,1-2H3
InChIKeyCKDCPXSEXULIFU-UHFFFAOYSA-N
MW510.63 g/mol
LogP7.56
Rot. Bonds11

About (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate

(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate (PubChem CID 22087736) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate.

Molecular Properties

Compound Name(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate
PubChem CID22087736
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Name(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate
SMILESCCCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1cccc(C2CC2)c1
InChIInChI=1S/C32H34N2O4/c1-3-19-34(32(35)38-29-11-7-10-27(21-29)25-14-15-25)22-24-12-16-28(17-13-24)36-20-18-30-23(2)37-31(33-30)26-8-5-4-6-9-26/h4-13,16-17,21,25H,3,14-15,18-20,22H2,1-2H3
InChIKeyCKDCPXSEXULIFU-UHFFFAOYSA-N
XLogP7.56
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propylphenoxy)carbonylamino]acetic acid
CID 22087545
2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087558
2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-hydroxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 161035524
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
CID 22087629
2-[(4-methylphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-oxazole
CID 159797295
5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
CID 142849494
(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid
CID 23577831
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate
CID 160644629
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]propanoic acid
CID 22087631
2-[(4-methoxyphenyl)sulfanylcarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087645
1-hydroxy-3-methyl-1-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]urea
CID 15646286

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate?
The IUPAC name of (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate (CID 22087736) is (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate.
What is the SMILES notation for (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate?
The canonical SMILES for (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate is CCCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1cccc(C2CC2)c1.
What is the InChIKey of (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate?
The InChIKey is CKDCPXSEXULIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-3-19-34(32(35)38-29-11-7-10-27(21-29)25-14-15-25)22-24-12-16-28(17-13-24)36-20-18-30-23(2)37-31(33-30)26-8-5-4-6-9-26/h4-13,16-17,21,25H,3,14-15,18-20,22H2,1-2H3.
What are the key properties of (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate?
(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate has a molecular weight of 510.63 g/mol, XLogP of 7.56, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate is sourced from PubChem (CID 22087736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).