3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one

C18H24ClN5O2 — CID 91911878

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C18H24ClN5O2/c19-16-9-15(26-22-16)5-6-18(25)23-7-1-2-14(11-23)8-17-21-20-12-24(17)10-13-3-4-13/h9,12-14H,1-8,10-11H2
InChIKeyJXYCPSCRKALOHI-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.74
Rot. Bonds7

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 91911878) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID91911878
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C18H24ClN5O2/c19-16-9-15(26-22-16)5-6-18(25)23-7-1-2-14(11-23)8-17-21-20-12-24(17)10-13-3-4-13/h9,12-14H,1-8,10-11H2
InChIKeyJXYCPSCRKALOHI-UHFFFAOYSA-N
XLogP2.74
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 70723901
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 124978226
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124947366
[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 91911875
(6S)-1-acetyl-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124999845
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 124958863
(6R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 125015697
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 51501232
(3aS,6aR)-5-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163309800
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 95719518
(4aS,8aR)-6-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56894990
3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one
CID 164698982

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one (CID 91911878) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one is O=C(CCc1cc(Cl)no1)N1CCCC(Cc2nncn2CC2CC2)C1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is JXYCPSCRKALOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c19-16-9-15(26-22-16)5-6-18(25)23-7-1-2-14(11-23)8-17-21-20-12-24(17)10-13-3-4-13/h9,12-14H,1-8,10-11H2.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 377.88 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91911878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).