N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine

C19H28N4O — CID 95137661

IUPACN-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NC[C@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)nc1
InChIInChI=1S/C19H28N4O/c1-14-5-6-17(20-9-14)21-10-15-7-8-23(12-15)13-18-22-11-16(24-18)19(2,3)4/h5-6,9,11,15H,7-8,10,12-13H2,1-4H3,(H,20,21)/t15-/m1/s1
InChIKeyLLPFKIWGROQBEG-OAHLLOKOSA-N
MW328.46 g/mol
LogP3.61
Rot. Bonds5

About N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine

N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine (PubChem CID 95137661) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine
PubChem CID95137661
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NC[C@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)nc1
InChIInChI=1S/C19H28N4O/c1-14-5-6-17(20-9-14)21-10-15-7-8-23(12-15)13-18-22-11-16(24-18)19(2,3)4/h5-6,9,11,15H,7-8,10,12-13H2,1-4H3,(H,20,21)/t15-/m1/s1
InChIKeyLLPFKIWGROQBEG-OAHLLOKOSA-N
XLogP3.61
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-pyridin-2-ylurea
CID 53597342
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71928369
N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 71928377
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71984488
5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
CID 95899492
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
CID 91923186
N-[[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine
CID 97847658
1-[6-[(5-Methyl-1,3-oxazol-2-yl)methylamino]-3-pyridinyl]ethanone
CID 99837168
5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 99837175
2-[Methyl-[6-[(2-methyl-1,3-oxazol-5-yl)methylamino]-3-pyridinyl]amino]ethanol
CID 132322019
(6R)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138019944
(3R,4R)-4-amino-3-fluoro-N-[5-methyl-4-[1-(2-methyl-1,3-oxazol-5-yl)prop-2-enylideneamino]-2-pyridinyl]piperidine-1-carboxamide
CID 138604844

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine?
The IUPAC name of N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine (CID 95137661) is N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine is Cc1ccc(NC[C@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)nc1.
What is the InChIKey of N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine?
The InChIKey is LLPFKIWGROQBEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-5-6-17(20-9-14)21-10-15-7-8-23(12-15)13-18-22-11-16(24-18)19(2,3)4/h5-6,9,11,15H,7-8,10,12-13H2,1-4H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine?
N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine has a molecular weight of 328.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 95137661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).