N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide

C15H14N2O4S — CID 102559272

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
SMILESCC(O)(CNC(=O)c1ccc2[nH]c(=S)oc2c1)c1ccco1
InChIInChI=1S/C15H14N2O4S/c1-15(19,12-3-2-6-20-12)8-16-13(18)9-4-5-10-11(7-9)21-14(22)17-10/h2-7,19H,8H2,1H3,(H,16,18)(H,17,22)
InChIKeySFAUTDASTUVOMX-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 102559272) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
PubChem CID102559272
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
SMILESCC(O)(CNC(=O)c1ccc2[nH]c(=S)oc2c1)c1ccco1
InChIInChI=1S/C15H14N2O4S/c1-15(19,12-3-2-6-20-12)8-16-13(18)9-4-5-10-11(7-9)21-14(22)17-10/h2-7,19H,8H2,1H3,(H,16,18)(H,17,22)
InChIKeySFAUTDASTUVOMX-UHFFFAOYSA-N
XLogP2.72
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 111482489
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-[(S)-methylsulfinyl]ethyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99811803
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-1H-indole-3-carboxamide
CID 111912254
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide (CID 102559272) is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide is CC(O)(CNC(=O)c1ccc2[nH]c(=S)oc2c1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is SFAUTDASTUVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-15(19,12-3-2-6-20-12)8-16-13(18)9-4-5-10-11(7-9)21-14(22)17-10/h2-7,19H,8H2,1H3,(H,16,18)(H,17,22).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 102559272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).