N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide

C15H24N2O3S — CID 111484714

IUPACN-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NCC2(O)CCSCC2)on1
InChIInChI=1S/C15H24N2O3S/c1-3-11(4-2)12-9-13(20-17-12)14(18)16-10-15(19)5-7-21-8-6-15/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyOVRSAPXWILVLSZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.57
Rot. Bonds6

About N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide

N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 111484714) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
PubChem CID111484714
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NCC2(O)CCSCC2)on1
InChIInChI=1S/C15H24N2O3S/c1-3-11(4-2)12-9-13(20-17-12)14(18)16-10-15(19)5-7-21-8-6-15/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)
InChIKeyOVRSAPXWILVLSZ-UHFFFAOYSA-N
XLogP2.57
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650
3-butan-2-yl-N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 111459570
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119250422
N-[2-(4-aminophenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119547664
4-[[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 119165631
2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215799
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
4-ethyl-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484723
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124980268

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide (CID 111484714) is N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(C(=O)NCC2(O)CCSCC2)on1.
What is the InChIKey of N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is OVRSAPXWILVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11(4-2)12-9-13(20-17-12)14(18)16-10-15(19)5-7-21-8-6-15/h9,11,19H,3-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 111484714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).