[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

C21H31N5O2 — CID 92554313

IUPAC[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)C2CCN(C(C)C)CC2)on1
InChIInChI=1S/C21H31N5O2/c1-14(2)25-10-7-16(8-11-25)21(27)26-9-5-6-18(26)20-17(13-24(4)22-20)19-12-15(3)23-28-19/h12-14,16,18H,5-11H2,1-4H3/t18-/m0/s1
InChIKeyYDHJCRCRZMZYHW-SFHVURJKSA-N
MW385.51 g/mol
LogP3.17
Rot. Bonds4

About [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 92554313) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID92554313
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)C2CCN(C(C)C)CC2)on1
InChIInChI=1S/C21H31N5O2/c1-14(2)25-10-7-16(8-11-25)21(27)26-9-5-6-18(26)20-17(13-24(4)22-20)19-12-15(3)23-28-19/h12-14,16,18H,5-11H2,1-4H3/t18-/m0/s1
InChIKeyYDHJCRCRZMZYHW-SFHVURJKSA-N
XLogP3.17
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 92554313) is [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)C2CCN(C(C)C)CC2)on1.
What is the InChIKey of [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is YDHJCRCRZMZYHW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-14(2)25-10-7-16(8-11-25)21(27)26-9-5-6-18(26)20-17(13-24(4)22-20)19-12-15(3)23-28-19/h12-14,16,18H,5-11H2,1-4H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 92554313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).