2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate

C12H13N3O4 — CID 79345905

IUPAC2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
SMILESCc1cc(-c2nnco2)ccc1NC(=O)OCCO
InChIInChI=1S/C12H13N3O4/c1-8-6-9(11-15-13-7-19-11)2-3-10(8)14-12(17)18-5-4-16/h2-3,6-7,16H,4-5H2,1H3,(H,14,17)
InChIKeyNKSQVKYQEDIGKP-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.59
Rot. Bonds4

About 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate

2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate (PubChem CID 79345905) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
PubChem CID79345905
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
SMILESCc1cc(-c2nnco2)ccc1NC(=O)OCCO
InChIInChI=1S/C12H13N3O4/c1-8-6-9(11-15-13-7-19-11)2-3-10(8)14-12(17)18-5-4-16/h2-3,6-7,16H,4-5H2,1H3,(H,14,17)
InChIKeyNKSQVKYQEDIGKP-UHFFFAOYSA-N
XLogP1.59
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 65173469
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
2-amino-4-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43713909
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734
2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 116675868
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate (CID 79345905) is 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate is Cc1cc(-c2nnco2)ccc1NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The InChIKey is NKSQVKYQEDIGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-8-6-9(11-15-13-7-19-11)2-3-10(8)14-12(17)18-5-4-16/h2-3,6-7,16H,4-5H2,1H3,(H,14,17).
What are the key properties of 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate has a molecular weight of 263.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate is sourced from PubChem (CID 79345905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).