ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate

C25H30N2O4 — CID 66582070

IUPACethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1-c1ccc(-c2onc(C)c2NC(C)CCCO)cc1
InChIInChI=1S/C25H30N2O4/c1-4-30-23(29)16-21-9-5-6-10-22(21)19-11-13-20(14-12-19)25-24(18(3)27-31-25)26-17(2)8-7-15-28/h5-6,9-14,17,26,28H,4,7-8,15-16H2,1-3H3
InChIKeyDPYYYJHQUQLWPL-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.00
Rot. Bonds10

About ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate

ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate (PubChem CID 66582070) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
PubChem CID66582070
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Nameethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1-c1ccc(-c2onc(C)c2NC(C)CCCO)cc1
InChIInChI=1S/C25H30N2O4/c1-4-30-23(29)16-21-9-5-6-10-22(21)19-11-13-20(14-12-19)25-24(18(3)27-31-25)26-17(2)8-7-15-28/h5-6,9-14,17,26,28H,4,7-8,15-16H2,1-3H3
InChIKeyDPYYYJHQUQLWPL-UHFFFAOYSA-N
XLogP5.00
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate with MolForge

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Related Compounds

ethyl 2-[1-[4-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropyl]acetate
CID 66578760
ethyl 2-[2-[4-[3-methyl-4-(2-methylhex-5-enyl)-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 147291993
2-[2-[4-[3-methyl-4-[1-(2-methylphenyl)ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 163653652
1-[4-[4-[4-[4-(2-chlorophenyl)butan-2-ylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51352005
ethyl 2-[2-[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate
CID 68753123
ethyl 1-[4-[4-[4-(hex-5-en-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578699
ethyl 2-[3-[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 67350277
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
ethyl 2-[2-[[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]phenyl]acetate
CID 58539594
2-[2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 58539545
1-[4-[4-[3-methyl-4-[4-[3-(trifluoromethyl)phenyl]butan-2-ylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51351890
ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 67523542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate?
The IUPAC name of ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate (CID 66582070) is ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate is CCOC(=O)Cc1ccccc1-c1ccc(-c2onc(C)c2NC(C)CCCO)cc1.
What is the InChIKey of ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate?
The InChIKey is DPYYYJHQUQLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-4-30-23(29)16-21-9-5-6-10-22(21)19-11-13-20(14-12-19)25-24(18(3)27-31-25)26-17(2)8-7-15-28/h5-6,9-14,17,26,28H,4,7-8,15-16H2,1-3H3.
What are the key properties of ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate?
ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate has a molecular weight of 422.53 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-[4-(5-hydroxypentan-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate is sourced from PubChem (CID 66582070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).