(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid

C14H15N3O3 — CID 67537467

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid
SMILESCc1noc(CN(C(=O)O)[C@H]2C[C@H]2c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-9-15-13(20-16-9)8-17(14(18)19)12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyZNURFWGSXNDFCS-RYUDHWBXSA-N
MW273.29 g/mol
LogP2.41
Rot. Bonds4

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid

(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid (PubChem CID 67537467) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid
PubChem CID67537467
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid
SMILESCc1noc(CN(C(=O)O)[C@H]2C[C@H]2c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-9-15-13(20-16-9)8-17(14(18)19)12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyZNURFWGSXNDFCS-RYUDHWBXSA-N
XLogP2.41
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid (CID 67537467) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid is Cc1noc(CN(C(=O)O)[C@H]2C[C@H]2c2ccccc2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid?
The InChIKey is ZNURFWGSXNDFCS-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-15-13(20-16-9)8-17(14(18)19)12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid has a molecular weight of 273.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid is sourced from PubChem (CID 67537467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).