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

C14H22N2O3 — CID 122158746

IUPACN-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide
SMILESCc1nc(C(C)C)oc1CNC(=O)C1CCCOC1
InChIInChI=1S/C14H22N2O3/c1-9(2)14-16-10(3)12(19-14)7-15-13(17)11-5-4-6-18-8-11/h9,11H,4-8H2,1-3H3,(H,15,17)
InChIKeyYLDAPNMGKJYQKO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.15
Rot. Bonds4

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

N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide (PubChem CID 122158746) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide
PubChem CID122158746
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide
SMILESCc1nc(C(C)C)oc1CNC(=O)C1CCCOC1
InChIInChI=1S/C14H22N2O3/c1-9(2)14-16-10(3)12(19-14)7-15-13(17)11-5-4-6-18-8-11/h9,11H,4-8H2,1-3H3,(H,15,17)
InChIKeyYLDAPNMGKJYQKO-UHFFFAOYSA-N
XLogP2.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
The IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide (CID 122158746) is N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide is Cc1nc(C(C)C)oc1CNC(=O)C1CCCOC1.
What is the InChIKey of N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
The InChIKey is YLDAPNMGKJYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)14-16-10(3)12(19-14)7-15-13(17)11-5-4-6-18-8-11/h9,11H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide?
N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 122158746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).