N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C18H25N5O2 — CID 95194165

IUPACN-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cc(CN2CC[C@H](CNC(=O)c3noc4c3CCCC4)C2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-12-8-14(21-20-12)11-23-7-6-13(10-23)9-19-18(24)17-15-4-2-3-5-16(15)25-22-17/h8,13H,2-7,9-11H2,1H3,(H,19,24)(H,20,21)/t13-/m1/s1
InChIKeyRMLREXSTUDVKMP-CYBMUJFWSA-N
MW343.43 g/mol
LogP1.84
Rot. Bonds5

About N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 95194165) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID95194165
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cc(CN2CC[C@H](CNC(=O)c3noc4c3CCCC4)C2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-12-8-14(21-20-12)11-23-7-6-13(10-23)9-19-18(24)17-15-4-2-3-5-16(15)25-22-17/h8,13H,2-7,9-11H2,1H3,(H,19,24)(H,20,21)/t13-/m1/s1
InChIKeyRMLREXSTUDVKMP-CYBMUJFWSA-N
XLogP1.84
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

3-chloro-4-hydroxy-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 56704399
N-[[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 95222106
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91814118
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126922397
5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42098299
4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 45234160
(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine
CID 95935060
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 111433976
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612
2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
CID 131685568

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 95194165) is N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1cc(CN2CC[C@H](CNC(=O)c3noc4c3CCCC4)C2)n[nH]1.
What is the InChIKey of N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is RMLREXSTUDVKMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-8-14(21-20-12)11-23-7-6-13(10-23)9-19-18(24)17-15-4-2-3-5-16(15)25-22-17/h8,13H,2-7,9-11H2,1H3,(H,19,24)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 95194165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).