3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

C14H17ClN4O3 — CID 110105488

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc(C2COCCN2C(=O)CCc2cc(Cl)no2)[nH]1
InChIInChI=1S/C14H17ClN4O3/c1-9-7-16-14(17-9)11-8-21-5-4-19(11)13(20)3-2-10-6-12(15)18-22-10/h6-7,11H,2-5,8H2,1H3,(H,16,17)
InChIKeyRHGHVFBFANXDCS-UHFFFAOYSA-N
MW324.77 g/mol
LogP1.89
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 110105488) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID110105488
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc(C2COCCN2C(=O)CCc2cc(Cl)no2)[nH]1
InChIInChI=1S/C14H17ClN4O3/c1-9-7-16-14(17-9)11-8-21-5-4-19(11)13(20)3-2-10-6-12(15)18-22-10/h6-7,11H,2-5,8H2,1H3,(H,16,17)
InChIKeyRHGHVFBFANXDCS-UHFFFAOYSA-N
XLogP1.89
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (CID 110105488) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is Cc1cnc(C2COCCN2C(=O)CCc2cc(Cl)no2)[nH]1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is RHGHVFBFANXDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-9-7-16-14(17-9)11-8-21-5-4-19(11)13(20)3-2-10-6-12(15)18-22-10/h6-7,11H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 324.77 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110105488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).