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

C13H14N2O4 — CID 68885549

IUPAC[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCOCc1ccc(-c2onc(C)c2NC(=O)O)cc1
InChIInChI=1S/C13H14N2O4/c1-8-11(14-13(16)17)12(19-15-8)10-5-3-9(4-6-10)7-18-2/h3-6,14H,7H2,1-2H3,(H,16,17)
InChIKeyHFEMMYPGSSLVAT-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.89
Rot. Bonds4

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

[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid (PubChem CID 68885549) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
PubChem CID68885549
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCOCc1ccc(-c2onc(C)c2NC(=O)O)cc1
InChIInChI=1S/C13H14N2O4/c1-8-11(14-13(16)17)12(19-15-8)10-5-3-9(4-6-10)7-18-2/h3-6,14H,7H2,1-2H3,(H,16,17)
InChIKeyHFEMMYPGSSLVAT-UHFFFAOYSA-N
XLogP2.89
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-5-[4-(2-phenylethylsulfanylmethyl)phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68883689
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methoxymethyl)benzamide
CID 60600533
[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68884953
[3-methyl-5-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68884690
[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 123178484
[3-methyl-5-[4-[4-(2-methylpyrrolidin-1-yl)phenyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 144533546
N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
CID 119043716
1-phenylethyl N-[5-[4-(chloromethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 90769298
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
2-[[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]methoxy]-3-phenylpropanoic acid
CID 86290787
1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 141295939
(3S)-1-[4-[4-[4-(carboxyamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]piperidine-3-carboxylic acid
CID 144533392

Frequently Asked Questions

What is the IUPAC name of [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The IUPAC name of [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid (CID 68885549) is [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid.
What is the SMILES notation for [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The canonical SMILES for [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid is COCc1ccc(-c2onc(C)c2NC(=O)O)cc1.
What is the InChIKey of [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The InChIKey is HFEMMYPGSSLVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-11(14-13(16)17)12(19-15-8)10-5-3-9(4-6-10)7-18-2/h3-6,14H,7H2,1-2H3,(H,16,17).
What are the key properties of [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid?
[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid has a molecular weight of 262.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid is sourced from PubChem (CID 68885549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).