N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C9H13N3O — CID 106372162

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1cnc(CNC2=NCCC2)o1
InChIInChI=1S/C9H13N3O/c1-7-5-12-9(13-7)6-11-8-3-2-4-10-8/h5H,2-4,6H2,1H3,(H,10,11)
InChIKeyCYJRKMOSJQFPIV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.26
Rot. Bonds2

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 106372162) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID106372162
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1cnc(CNC2=NCCC2)o1
InChIInChI=1S/C9H13N3O/c1-7-5-12-9(13-7)6-11-8-3-2-4-10-8/h5H,2-4,6H2,1H3,(H,10,11)
InChIKeyCYJRKMOSJQFPIV-UHFFFAOYSA-N
XLogP1.26
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71873202
2-[(5-Methyl-1,3-oxazol-2-yl)methyl-propan-2-ylamino]acetamide
CID 71989151
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179166
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183845
[5-(Fluoromethyl)-1,3-oxazol-2-yl]methanamine
CID 84762287
1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 84762823
1-[5-(Fluoromethyl)-1,3-oxazol-2-yl]ethan-1-amine
CID 84762824
1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 84764003

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 106372162) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is Cc1cnc(CNC2=NCCC2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is CYJRKMOSJQFPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-5-12-9(13-7)6-11-8-3-2-4-10-8/h5H,2-4,6H2,1H3,(H,10,11).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 179.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 106372162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).