4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide

C14H21N3O2S — CID 170506156

IUPAC4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCSC1)C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C14H21N3O2S/c18-13(16-12-5-8-20-9-12)10-1-3-11(4-2-10)17-14-15-6-7-19-14/h6-7,10-12H,1-5,8-9H2,(H,15,17)(H,16,18)
InChIKeyWDMTXUSPBMWIHZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.27
Rot. Bonds4

About 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide

4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide (PubChem CID 170506156) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide
PubChem CID170506156
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCSC1)C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C14H21N3O2S/c18-13(16-12-5-8-20-9-12)10-1-3-11(4-2-10)17-14-15-6-7-19-14/h6-7,10-12H,1-5,8-9H2,(H,15,17)(H,16,18)
InChIKeyWDMTXUSPBMWIHZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide (CID 170506156) is 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide is O=C(NC1CCSC1)C1CCC(Nc2ncco2)CC1.
What is the InChIKey of 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is WDMTXUSPBMWIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-13(16-12-5-8-20-9-12)10-1-3-11(4-2-10)17-14-15-6-7-19-14/h6-7,10-12H,1-5,8-9H2,(H,15,17)(H,16,18).
What are the key properties of 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide?
4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylamino)-N-(thiolan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 170506156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).