N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C16H17FN2O2S — CID 95128451

IUPACN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-19-14(8-22-11)15(20)18-9-16(6-7-21-10-16)12-2-4-13(17)5-3-12/h2-5,8H,6-7,9-10H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyPCPJDVRIOLSPMT-MRXNPFEDSA-N
MW320.39 g/mol
LogP2.68
Rot. Bonds4

About N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 95128451) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID95128451
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-19-14(8-22-11)15(20)18-9-16(6-7-21-10-16)12-2-4-13(17)5-3-12/h2-5,8H,6-7,9-10H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyPCPJDVRIOLSPMT-MRXNPFEDSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95125429
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 47727483
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 95142210
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 146085697
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
1-(difluoromethyl)-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]pyrazole-3-carboxamide
CID 46971391

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 95128451) is N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)cs1.
What is the InChIKey of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PCPJDVRIOLSPMT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11-19-14(8-22-11)15(20)18-9-16(6-7-21-10-16)12-2-4-13(17)5-3-12/h2-5,8H,6-7,9-10H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95128451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).