N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C16H20N2O3S — CID 71909794

IUPACN-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N(C)CC1CCCC1O
InChIInChI=1S/C16H20N2O3S/c1-10-14(17-15(21-10)13-7-4-8-22-13)16(20)18(2)9-11-5-3-6-12(11)19/h4,7-8,11-12,19H,3,5-6,9H2,1-2H3
InChIKeyQKSZKMLFPNYCCH-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.94
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 71909794) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID71909794
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N(C)CC1CCCC1O
InChIInChI=1S/C16H20N2O3S/c1-10-14(17-15(21-10)13-7-4-8-22-13)16(20)18(2)9-11-5-3-6-12(11)19/h4,7-8,11-12,19H,3,5-6,9H2,1-2H3
InChIKeyQKSZKMLFPNYCCH-UHFFFAOYSA-N
XLogP2.94
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51080994
N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55712564
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclohexanamine
CID 26318795
[(2S)-2-cyclohexylpyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 52535097
N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 109400153
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95589955
N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 109400317
N-[(2-hydroxycyclopentyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 109399763
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95336035
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 109400231

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 71909794) is N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)N(C)CC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is QKSZKMLFPNYCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10-14(17-15(21-10)13-7-4-8-22-13)16(20)18(2)9-11-5-3-6-12(11)19/h4,7-8,11-12,19H,3,5-6,9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71909794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).