5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide

C17H20N2O3 — CID 122561508

IUPAC5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ncoc1C
InChIInChI=1S/C17H20N2O3/c1-10-5-6-12-13(8-17(3,4)22-14(12)7-10)19-16(20)15-11(2)21-9-18-15/h5-7,9,13H,8H2,1-4H3,(H,19,20)
InChIKeyVCSSUBMUCLBSMS-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.32
Rot. Bonds2

About 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide

5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 122561508) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID122561508
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ncoc1C
InChIInChI=1S/C17H20N2O3/c1-10-5-6-12-13(8-17(3,4)22-14(12)7-10)19-16(20)15-11(2)21-9-18-15/h5-7,9,13H,8H2,1-4H3,(H,19,20)
InChIKeyVCSSUBMUCLBSMS-UHFFFAOYSA-N
XLogP3.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide
CID 91795887
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132652294
6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 131904820
5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide
CID 131935068
2-methyl-3-nitro-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99995286
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132654747
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132665014

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide (CID 122561508) is 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide is Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ncoc1C.
What is the InChIKey of 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is VCSSUBMUCLBSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-5-6-12-13(8-17(3,4)22-14(12)7-10)19-16(20)15-11(2)21-9-18-15/h5-7,9,13H,8H2,1-4H3,(H,19,20).
What are the key properties of 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide?
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122561508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).