[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid

C14H16N2O4 — CID 68884953

IUPAC[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCCOCc1cccc(-c2onc(C)c2NC(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-3-19-8-10-5-4-6-11(7-10)13-12(15-14(17)18)9(2)16-20-13/h4-7,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyFTODADRFICBPAM-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.28
Rot. Bonds5

About [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid

[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid (PubChem CID 68884953) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
PubChem CID68884953
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCCOCc1cccc(-c2onc(C)c2NC(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-3-19-8-10-5-4-6-11(7-10)13-12(15-14(17)18)9(2)16-20-13/h4-7,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyFTODADRFICBPAM-UHFFFAOYSA-N
XLogP3.28
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68885549
[3-methyl-5-[4-(2-phenylethylsulfanylmethyl)phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68883689
ethyl 2-[3-[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 67350277
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 123178484
2-[3-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 46238997
N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
CID 119043716
3-[4-[3-methyl-4-(3-phenylpropanoylamino)-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 66578609
1-phenylethyl N-[3-methyl-5-(3-methylphenyl)-1,2-oxazol-4-yl]carbamate
CID 22279648
2-[[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]butanoic acid
CID 68885888
[3-methyl-5-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68884690
3-[[4-[4-[(2-bromophenyl)methoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]benzoic acid
CID 68756732

Frequently Asked Questions

What is the IUPAC name of [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The IUPAC name of [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid (CID 68884953) is [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid.
What is the SMILES notation for [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The canonical SMILES for [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid is CCOCc1cccc(-c2onc(C)c2NC(=O)O)c1.
What is the InChIKey of [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The InChIKey is FTODADRFICBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-19-8-10-5-4-6-11(7-10)13-12(15-14(17)18)9(2)16-20-13/h4-7,15H,3,8H2,1-2H3,(H,17,18).
What are the key properties of [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid has a molecular weight of 276.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid is sourced from PubChem (CID 68884953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).