N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

C15H16N4O — CID 66412809

IUPACN-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESc1cnc2c(c1)c(CNC1CC1)cn2Cc1ccno1
InChIInChI=1S/C15H16N4O/c1-2-14-11(8-17-12-3-4-12)9-19(15(14)16-6-1)10-13-5-7-18-20-13/h1-2,5-7,9,12,17H,3-4,8,10H2
InChIKeyKFAQDZBYWPJAOW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.32
Rot. Bonds5

About N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 66412809) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID66412809
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESc1cnc2c(c1)c(CNC1CC1)cn2Cc1ccno1
InChIInChI=1S/C15H16N4O/c1-2-14-11(8-17-12-3-4-12)9-19(15(14)16-6-1)10-13-5-7-18-20-13/h1-2,5-7,9,12,17H,3-4,8,10H2
InChIKeyKFAQDZBYWPJAOW-UHFFFAOYSA-N
XLogP2.32
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66413007
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411229
N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412218
N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66413404
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412220
N-[[1-(2-imidazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412807
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 115983327
[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415678

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (CID 66412809) is N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is c1cnc2c(c1)c(CNC1CC1)cn2Cc1ccno1.
What is the InChIKey of N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is KFAQDZBYWPJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-14-11(8-17-12-3-4-12)9-19(15(14)16-6-1)10-13-5-7-18-20-13/h1-2,5-7,9,12,17H,3-4,8,10H2.
What are the key properties of N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 268.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66412809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).