N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide

C18H25N5O2 — CID 167799066

IUPACN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C
InChIInChI=1S/C18H25N5O2/c1-12-16(20-11-25-12)18(24)19-10-13-4-3-9-23(14-5-6-14)17(13)15-7-8-21-22(15)2/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3,(H,19,24)/t13-,17+/m0/s1
InChIKeyIAXLWKIZSMAJCL-SUMWQHHRSA-N
MW343.43 g/mol
LogP2.06
Rot. Bonds5

About N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 167799066) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID167799066
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C
InChIInChI=1S/C18H25N5O2/c1-12-16(20-11-25-12)18(24)19-10-13-4-3-9-23(14-5-6-14)17(13)15-7-8-21-22(15)2/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3,(H,19,24)/t13-,17+/m0/s1
InChIKeyIAXLWKIZSMAJCL-SUMWQHHRSA-N
XLogP2.06
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 167799066) is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C.
What is the InChIKey of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is IAXLWKIZSMAJCL-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-16(20-11-25-12)18(24)19-10-13-4-3-9-23(14-5-6-14)17(13)15-7-8-21-22(15)2/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3,(H,19,24)/t13-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167799066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).