N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide

C14H16N2O3S — CID 99622571

IUPACN-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
SMILESCO[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c(=S)oc2c1
InChIInChI=1S/C14H16N2O3S/c1-18-11-4-2-3-9(11)15-13(17)8-5-6-10-12(7-8)19-14(20)16-10/h5-7,9,11H,2-4H2,1H3,(H,15,17)(H,16,20)/t9-,11-/m1/s1
InChIKeyQGDLJPOQZXVPOL-MWLCHTKSSA-N
MW292.36 g/mol
LogP2.79
Rot. Bonds3

About N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide

N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 99622571) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
PubChem CID99622571
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
SMILESCO[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c(=S)oc2c1
InChIInChI=1S/C14H16N2O3S/c1-18-11-4-2-3-9(11)15-13(17)8-5-6-10-12(7-8)19-14(20)16-10/h5-7,9,11H,2-4H2,1H3,(H,15,17)(H,16,20)/t9-,11-/m1/s1
InChIKeyQGDLJPOQZXVPOL-MWLCHTKSSA-N
XLogP2.79
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxycyclopentyl)-1H-indole-5-carboxamide
CID 55236061
N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99833542
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
N-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99629701
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
methyl (2S)-2-cyclopropyl-2-[(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)amino]propanoate
CID 96568977
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 95933296
3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
CID 62087821
3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
N-[1-(2-methoxyethyl)cyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99616019
N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 100908067
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide (CID 99622571) is N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide is CO[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c(=S)oc2c1.
What is the InChIKey of N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is QGDLJPOQZXVPOL-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-11-4-2-3-9(11)15-13(17)8-5-6-10-12(7-8)19-14(20)16-10/h5-7,9,11H,2-4H2,1H3,(H,15,17)(H,16,20)/t9-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 99622571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).