(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C16H24N2O3 — CID 164636060

IUPAC(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1nc(C(C)C)oc1C(=O)N1CCC[C@@]2(CCOC2)C1
InChIInChI=1S/C16H24N2O3/c1-11(2)14-17-12(3)13(21-14)15(19)18-7-4-5-16(9-18)6-8-20-10-16/h11H,4-10H2,1-3H3/t16-/m1/s1
InChIKeyMWAPCPWDPVCXGO-MRXNPFEDSA-N
MW292.38 g/mol
LogP2.75
Rot. Bonds2

About (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 164636060) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID164636060
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1nc(C(C)C)oc1C(=O)N1CCC[C@@]2(CCOC2)C1
InChIInChI=1S/C16H24N2O3/c1-11(2)14-17-12(3)13(21-14)15(19)18-7-4-5-16(9-18)6-8-20-10-16/h11H,4-10H2,1-3H3/t16-/m1/s1
InChIKeyMWAPCPWDPVCXGO-MRXNPFEDSA-N
XLogP2.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 164636060) is (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cc1nc(C(C)C)oc1C(=O)N1CCC[C@@]2(CCOC2)C1.
What is the InChIKey of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is MWAPCPWDPVCXGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)14-17-12(3)13(21-14)15(19)18-7-4-5-16(9-18)6-8-20-10-16/h11H,4-10H2,1-3H3/t16-/m1/s1.
What are the key properties of (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 164636060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).