3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

C18H23FN4O3 — CID 91626361

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C18H23FN4O3/c1-11-16(12(2)26-23-11)7-8-17(24)22-14-3-5-15(6-4-14)25-18-20-9-13(19)10-21-18/h9-10,14-15H,3-8H2,1-2H3,(H,22,24)
InChIKeySTTCVQMKSRQSEN-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.66
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (PubChem CID 91626361) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
PubChem CID91626361
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C18H23FN4O3/c1-11-16(12(2)26-23-11)7-8-17(24)22-14-3-5-15(6-4-14)25-18-20-9-13(19)10-21-18/h9-10,14-15H,3-8H2,1-2H3,(H,22,24)
InChIKeySTTCVQMKSRQSEN-UHFFFAOYSA-N
XLogP2.66
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide with MolForge

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47909658

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (CID 91626361) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is Cc1noc(C)c1CCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The InChIKey is STTCVQMKSRQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-11-16(12(2)26-23-11)7-8-17(24)22-14-3-5-15(6-4-14)25-18-20-9-13(19)10-21-18/h9-10,14-15H,3-8H2,1-2H3,(H,22,24).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide has a molecular weight of 362.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is sourced from PubChem (CID 91626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).