2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole

C7H10ClNO — CID 134225003

IUPAC2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(Cl)oc1C(C)C
InChIInChI=1S/C7H10ClNO/c1-4(2)6-5(3)9-7(8)10-6/h4H,1-3H3
InChIKeySINYEGIVLILYCL-UHFFFAOYSA-N
MW159.62 g/mol
LogP2.76
Rot. Bonds1

About 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole

2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole (PubChem CID 134225003) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole
PubChem CID134225003
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(Cl)oc1C(C)C
InChIInChI=1S/C7H10ClNO/c1-4(2)6-5(3)9-7(8)10-6/h4H,1-3H3
InChIKeySINYEGIVLILYCL-UHFFFAOYSA-N
XLogP2.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole (CID 134225003) is 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole is Cc1nc(Cl)oc1C(C)C.
What is the InChIKey of 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is SINYEGIVLILYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-4(2)6-5(3)9-7(8)10-6/h4H,1-3H3.
What are the key properties of 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole?
2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 159.62 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 134225003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).