(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide

C14H16N2O3 — CID 94194100

IUPAC(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)[C@H]3CCCO3)ccc2o1
InChIInChI=1S/C14H16N2O3/c1-2-13-16-10-8-9(5-6-11(10)19-13)15-14(17)12-4-3-7-18-12/h5-6,8,12H,2-4,7H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyBDYAVSRBSYEYSX-GFCCVEGCSA-N
MW260.29 g/mol
LogP2.51
Rot. Bonds3

About (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide

(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide (PubChem CID 94194100) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
PubChem CID94194100
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)[C@H]3CCCO3)ccc2o1
InChIInChI=1S/C14H16N2O3/c1-2-13-16-10-8-9(5-6-11(10)19-13)15-14(17)12-4-3-7-18-12/h5-6,8,12H,2-4,7H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyBDYAVSRBSYEYSX-GFCCVEGCSA-N
XLogP2.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
N-(2-ethyl-1,3-benzoxazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290749
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide
CID 66265019
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide
CID 9323035
(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95771355
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
CID 65081910

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide (CID 94194100) is (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide is CCc1nc2cc(NC(=O)[C@H]3CCCO3)ccc2o1.
What is the InChIKey of (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
The InChIKey is BDYAVSRBSYEYSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-13-16-10-8-9(5-6-11(10)19-13)15-14(17)12-4-3-7-18-12/h5-6,8,12H,2-4,7H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide?
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 94194100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).