methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate

C18H22N4O4 — CID 97188414

IUPACmethyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C18H22N4O4/c1-21(17(23)16-7-3-4-9-22(16)18(24)25-2)12-14-10-15(20-26-14)13-6-5-8-19-11-13/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyCNEKFFZQTCOUNY-INIZCTEOSA-N
MW358.40 g/mol
LogP2.32
Rot. Bonds4

About methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate

methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 97188414) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
PubChem CID97188414
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namemethyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C18H22N4O4/c1-21(17(23)16-7-3-4-9-22(16)18(24)25-2)12-14-10-15(20-26-14)13-6-5-8-19-11-13/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyCNEKFFZQTCOUNY-INIZCTEOSA-N
XLogP2.32
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97269100
(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95880976
N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903821
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97206029
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 91783670
2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 70758920
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 91838613
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91777300
N-methyl-1-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 71998761
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91790461
6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
CID 91773666

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate (CID 97188414) is methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cc(-c2cccnc2)no1.
What is the InChIKey of methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is CNEKFFZQTCOUNY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21(17(23)16-7-3-4-9-22(16)18(24)25-2)12-14-10-15(20-26-14)13-6-5-8-19-11-13/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 97188414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).