N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide

C14H22N2O3 — CID 131963441

IUPACN-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)C2CCCOC2)o1
InChIInChI=1S/C14H22N2O3/c1-3-5-13-16-10(2)12(19-13)8-15-14(17)11-6-4-7-18-9-11/h11H,3-9H2,1-2H3,(H,15,17)
InChIKeyCHHOQUHVFSDEKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.98
Rot. Bonds5

About N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide

N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide (PubChem CID 131963441) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide
PubChem CID131963441
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)C2CCCOC2)o1
InChIInChI=1S/C14H22N2O3/c1-3-5-13-16-10(2)12(19-13)8-15-14(17)11-6-4-7-18-9-11/h11H,3-9H2,1-2H3,(H,15,17)
InChIKeyCHHOQUHVFSDEKX-UHFFFAOYSA-N
XLogP1.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide
CID 122158746
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110714751
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolane-3-carboxamide
CID 122560083
1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine
CID 122082788
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
N-[(3-bromo-4-methylphenyl)methyl]oxane-3-carboxamide
CID 170616174
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377
N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
CID 111119935
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
The IUPAC name of N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide (CID 131963441) is N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide is CCCc1nc(C)c(CNC(=O)C2CCCOC2)o1.
What is the InChIKey of N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
The InChIKey is CHHOQUHVFSDEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-5-13-16-10(2)12(19-13)8-15-14(17)11-6-4-7-18-9-11/h11H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 131963441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).