methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid

C15H16N2O4 — CID 174232196

IUPACmethyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid
SMILESCN(C[C@@H]1CCOc2c(-c3cocn3)cccc21)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-17(15(18)19)7-10-5-6-21-14-11(10)3-2-4-12(14)13-8-20-9-16-13/h2-4,8-10H,5-7H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyLTRPYKQETKITFP-JTQLQIEISA-N
MW288.30 g/mol
LogP2.82
Rot. Bonds3

About methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid

methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid (PubChem CID 174232196) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid
PubChem CID174232196
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid
SMILESCN(C[C@@H]1CCOc2c(-c3cocn3)cccc21)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-17(15(18)19)7-10-5-6-21-14-11(10)3-2-4-12(14)13-8-20-9-16-13/h2-4,8-10H,5-7H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyLTRPYKQETKITFP-JTQLQIEISA-N
XLogP2.82
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]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 methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid?
The IUPAC name of methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid (CID 174232196) is methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid.
What is the SMILES notation for methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid?
The canonical SMILES for methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid is CN(C[C@@H]1CCOc2c(-c3cocn3)cccc21)C(=O)O.
What is the InChIKey of methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid?
The InChIKey is LTRPYKQETKITFP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17(15(18)19)7-10-5-6-21-14-11(10)3-2-4-12(14)13-8-20-9-16-13/h2-4,8-10H,5-7H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid?
methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid has a molecular weight of 288.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(4R)-8-(1,3-oxazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid is sourced from PubChem (CID 174232196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).