N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H16N2O3 — CID 86286458

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1COc2ccccc2C1
InChIInChI=1S/C15H16N2O3/c1-9-14(10(2)20-17-9)15(18)16-12-7-11-5-3-4-6-13(11)19-8-12/h3-6,12H,7-8H2,1-2H3,(H,16,18)
InChIKeyZPECFBSADPUROI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.02
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 86286458) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID86286458
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1COc2ccccc2C1
InChIInChI=1S/C15H16N2O3/c1-9-14(10(2)20-17-9)15(18)16-12-7-11-5-3-4-6-13(11)19-8-12/h3-6,12H,7-8H2,1-2H3,(H,16,18)
InChIKeyZPECFBSADPUROI-UHFFFAOYSA-N
XLogP2.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 86286458) is N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZPECFBSADPUROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-14(10(2)20-17-9)15(18)16-12-7-11-5-3-4-6-13(11)19-8-12/h3-6,12H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 86286458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).