2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole

C15H20N2O — CID 168514211

IUPAC2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
SMILESCCCCc1nc2cc(N3CCCC3)ccc2o1
InChIInChI=1S/C15H20N2O/c1-2-3-6-15-16-13-11-12(7-8-14(13)18-15)17-9-4-5-10-17/h7-8,11H,2-6,9-10H2,1H3
InChIKeyLLWGTVFQRNZXAB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.77
Rot. Bonds4

About 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole

2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole (PubChem CID 168514211) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
PubChem CID168514211
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
SMILESCCCCc1nc2cc(N3CCCC3)ccc2o1
InChIInChI=1S/C15H20N2O/c1-2-3-6-15-16-13-11-12(7-8-14(13)18-15)17-9-4-5-10-17/h7-8,11H,2-6,9-10H2,1H3
InChIKeyLLWGTVFQRNZXAB-UHFFFAOYSA-N
XLogP3.77
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
(2-butyl-1,3-benzoxazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 24794237
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
2-butyl-5-(furan-2-yl)-1,3-benzoxazole
CID 168526990
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893
N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 22973776
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
2-pentyl-1,3-benzoxazole
CID 23425
ethyl 2-[(2R)-1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]acetate
CID 25458451
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]piperidine-4-carboxylic acid
CID 117099425
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole (CID 168514211) is 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole is CCCCc1nc2cc(N3CCCC3)ccc2o1.
What is the InChIKey of 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole?
The InChIKey is LLWGTVFQRNZXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-6-15-16-13-11-12(7-8-14(13)18-15)17-9-4-5-10-17/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole?
2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole has a molecular weight of 244.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 168514211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).