(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C17H19N3O5 — CID 95716081

IUPAC(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCn1c(=O)oc2ccc(C(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)cc21
InChIInChI=1S/C17H19N3O5/c1-19-12-9-11(3-4-13(12)24-16(19)23)14(21)20-7-2-5-17(6-8-20)10-18-15(22)25-17/h3-4,9H,2,5-8,10H2,1H3,(H,18,22)/t17-/m1/s1
InChIKeyPYHUCQIYUBDEBB-QGZVFWFLSA-N
MW345.36 g/mol
LogP1.24
Rot. Bonds1

About (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95716081) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95716081
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCn1c(=O)oc2ccc(C(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)cc21
InChIInChI=1S/C17H19N3O5/c1-19-12-9-11(3-4-13(12)24-16(19)23)14(21)20-7-2-5-17(6-8-20)10-18-15(22)25-17/h3-4,9H,2,5-8,10H2,1H3,(H,18,22)/t17-/m1/s1
InChIKeyPYHUCQIYUBDEBB-QGZVFWFLSA-N
XLogP1.24
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
(5S)-9-(3-methyl-4-oxoquinazoline-7-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724265
9-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56901941
8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267
(5R)-9-(6-methyl-4-oxopyran-2-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936720
(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
methyl 4-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110803359
9-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56916764
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110807809
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
(5R)-9-(2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95714799
6-(1,4-diazepane-1-carbonyl)-3-methyl-1,3-benzoxazol-2-one
CID 82062962

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95716081) is (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cn1c(=O)oc2ccc(C(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)cc21.
What is the InChIKey of (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is PYHUCQIYUBDEBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-19-12-9-11(3-4-13(12)24-16(19)23)14(21)20-7-2-5-17(6-8-20)10-18-15(22)25-17/h3-4,9H,2,5-8,10H2,1H3,(H,18,22)/t17-/m1/s1.
What are the key properties of (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 345.36 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95716081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).