N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

C19H26N2O4 — CID 124776852

IUPACN-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](C)[C@H]1OC
InChIInChI=1S/C19H26N2O4/c1-6-19(7-2)15(11(3)16(19)24-5)20-17(22)12-9-8-10-13-14(12)25-18(23)21(13)4/h8-11,15-16H,6-7H2,1-5H3,(H,20,22)/t11-,15-,16-/m1/s1
InChIKeyVGMLNZNODQVKJE-HFBAOOFYSA-N
MW346.43 g/mol
LogP2.70
Rot. Bonds5

About N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 124776852) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID124776852
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](C)[C@H]1OC
InChIInChI=1S/C19H26N2O4/c1-6-19(7-2)15(11(3)16(19)24-5)20-17(22)12-9-8-10-13-14(12)25-18(23)21(13)4/h8-11,15-16H,6-7H2,1-5H3,(H,20,22)/t11-,15-,16-/m1/s1
InChIKeyVGMLNZNODQVKJE-HFBAOOFYSA-N
XLogP2.70
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (CID 124776852) is N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is CCC1(CC)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](C)[C@H]1OC.
What is the InChIKey of N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is VGMLNZNODQVKJE-HFBAOOFYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-6-19(7-2)15(11(3)16(19)24-5)20-17(22)12-9-8-10-13-14(12)25-18(23)21(13)4/h8-11,15-16H,6-7H2,1-5H3,(H,20,22)/t11-,15-,16-/m1/s1.
What are the key properties of N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 124776852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).