N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C18H24N2O3 — CID 86948250

IUPACN-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1cccc(C)c1OCCCNC(=O)c1cc(C(C)C)no1
InChIInChI=1S/C18H24N2O3/c1-12(2)15-11-16(23-20-15)18(21)19-9-6-10-22-17-13(3)7-5-8-14(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,21)
InChIKeySDJWPFYVHFUYBQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.61
Rot. Bonds7

About N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 86948250) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID86948250
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1cccc(C)c1OCCCNC(=O)c1cc(C(C)C)no1
InChIInChI=1S/C18H24N2O3/c1-12(2)15-11-16(23-20-15)18(21)19-9-6-10-22-17-13(3)7-5-8-14(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,21)
InChIKeySDJWPFYVHFUYBQ-UHFFFAOYSA-N
XLogP3.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948151
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70782360
4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
N-[3-(benzotriazol-1-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74232653
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 84584001
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108881561

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 86948250) is N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is Cc1cccc(C)c1OCCCNC(=O)c1cc(C(C)C)no1.
What is the InChIKey of N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is SDJWPFYVHFUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)15-11-16(23-20-15)18(21)19-9-6-10-22-17-13(3)7-5-8-14(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86948250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).