N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C13H18N2O4 — CID 131894866

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1onc2c1CCCC2
InChIInChI=1S/C13H18N2O4/c1-17-11-7-18-6-10(11)14-13(16)12-8-4-2-3-5-9(8)15-19-12/h10-11H,2-7H2,1H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyLADRMBDIWKXAAO-QWRGUYRKSA-N
MW266.30 g/mol
LogP0.70
Rot. Bonds3

About N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 131894866) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID131894866
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)c1onc2c1CCCC2
InChIInChI=1S/C13H18N2O4/c1-17-11-7-18-6-10(11)14-13(16)12-8-4-2-3-5-9(8)15-19-12/h10-11H,2-7H2,1H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyLADRMBDIWKXAAO-QWRGUYRKSA-N
XLogP0.70
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 122565209
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126939204
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 91786522
5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
CID 122564714
(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
CID 130758102
methyl 2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)cyclohexane-1-carboxylate
CID 67468852
N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 156608505
N-[(3S,4S)-4-methoxyoxolan-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 128729810
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131899205
N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 136566883
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91787839
1-[(3S,4R)-4-methoxyoxolan-3-yl]-3-methylthiourea
CID 130676291

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 131894866) is N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is CO[C@H]1COC[C@@H]1NC(=O)c1onc2c1CCCC2.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is LADRMBDIWKXAAO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-11-7-18-6-10(11)14-13(16)12-8-4-2-3-5-9(8)15-19-12/h10-11H,2-7H2,1H3,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 131894866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).