5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole

C9H13NO — CID 126487604

IUPAC5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1ncoc1C(C)C
InChIInChI=1S/C9H13NO/c1-6(2)8-9(7(3)4)11-5-10-8/h5,7H,1H2,2-4H3
InChIKeyNNGKAQXPFNSLQK-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.83
Rot. Bonds2

About 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole

5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole (PubChem CID 126487604) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole
PubChem CID126487604
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1ncoc1C(C)C
InChIInChI=1S/C9H13NO/c1-6(2)8-9(7(3)4)11-5-10-8/h5,7H,1H2,2-4H3
InChIKeyNNGKAQXPFNSLQK-UHFFFAOYSA-N
XLogP2.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazole, 5-isobutyl-4-methyl-
CID 207289
5-Tert-butyl-4-(1-fluoroethyl)-1,3-oxazole
CID 146379103
4-(2,2-Difluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163494
4-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163576
4-But-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole
CID 171807382
Oxazole, 4,5-diethyl
CID 529030
4-(1-Fluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 163963057
4-Methyl-5-propan-2-yl-1,3-oxazole
CID 207288
5-Tert-butyl-4-ethenyl-1,3-oxazole
CID 21031486
4,5-Ditert-butyl-1,3-oxazole
CID 21040197
4,5-Diisopropyloxazole
CID 23402778
5-Methyl-4-propan-2-yl-1,3-oxazole
CID 53944524

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole (CID 126487604) is 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole is C=C(C)c1ncoc1C(C)C.
What is the InChIKey of 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is NNGKAQXPFNSLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(2)8-9(7(3)4)11-5-10-8/h5,7H,1H2,2-4H3.
What are the key properties of 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole?
5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 126487604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).