N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C17H20N2O4 — CID 97122083

IUPACN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](CNC(=O)c1oc(C)nc1C)C2
InChIInChI=1S/C17H20N2O4/c1-10-16(23-11(2)19-10)17(20)18-8-12-6-13-4-5-14(21-3)7-15(13)22-9-12/h4-5,7,12H,6,8-9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeySPTOQMSYUUFHPF-LBPRGKRZSA-N
MW316.36 g/mol
LogP2.28
Rot. Bonds4

About N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 97122083) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID97122083
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](CNC(=O)c1oc(C)nc1C)C2
InChIInChI=1S/C17H20N2O4/c1-10-16(23-11(2)19-10)17(20)18-8-12-6-13-4-5-14(21-3)7-15(13)22-9-12/h4-5,7,12H,6,8-9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeySPTOQMSYUUFHPF-LBPRGKRZSA-N
XLogP2.28
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide 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 N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 97122083) is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is COc1ccc2c(c1)OC[C@H](CNC(=O)c1oc(C)nc1C)C2.
What is the InChIKey of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is SPTOQMSYUUFHPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-16(23-11(2)19-10)17(20)18-8-12-6-13-4-5-14(21-3)7-15(13)22-9-12/h4-5,7,12H,6,8-9H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 97122083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).